methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate

C19H34N4O4 — CID 31689500

IUPACmethyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)CN1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(=O)OC
InChIInChI=1S/C19H34N4O4/c1-5-13(2)17(19(26)27-4)21-16(24)12-22-8-10-23(11-9-22)14(3)18(25)20-15-6-7-15/h13-15,17H,5-12H2,1-4H3,(H,20,25)(H,21,24)/t13-,14-,17-/m0/s1
InChIKeyCXITWYPEIZIMQK-ZQIUZPCESA-N
MW382.51 g/mol
LogP-0.03
Rot. Bonds9

About methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate

methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate (PubChem CID 31689500) has the molecular formula C19H34N4O4 and a molecular weight of 382.51 g/mol. Its IUPAC name is methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate
PubChem CID31689500
Molecular FormulaC19H34N4O4
Molecular Weight382.51 g/mol
Exact Mass382.26
IUPAC Namemethyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)CN1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(=O)OC
InChIInChI=1S/C19H34N4O4/c1-5-13(2)17(19(26)27-4)21-16(24)12-22-8-10-23(11-9-22)14(3)18(25)20-15-6-7-15/h13-15,17H,5-12H2,1-4H3,(H,20,25)(H,21,24)/t13-,14-,17-/m0/s1
InChIKeyCXITWYPEIZIMQK-ZQIUZPCESA-N
XLogP-0.03
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate
CID 80703334
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 30722149
N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide
CID 43037834
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30739585
methyl (2S,3S)-2-[[2-(4-benzoylpiperazin-1-yl)acetyl]amino]-3-methylpentanoate
CID 8597260
N-cyclopropyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 86917144
methyl (2R,3S)-3-methyl-2-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]pentanoate
CID 8687063
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide
CID 55411006
methyl (2S,3S)-2-[[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate
CID 8872122
(2S)-N-cyclopropyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8711915
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 134045389
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 63340617

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate?
The IUPAC name of methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate (CID 31689500) is methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate is CC[C@H](C)[C@H](NC(=O)CN1CCN([C@@H](C)C(=O)NC2CC2)CC1)C(=O)OC.
What is the InChIKey of methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate?
The InChIKey is CXITWYPEIZIMQK-ZQIUZPCESA-N. The full InChI is InChI=1S/C19H34N4O4/c1-5-13(2)17(19(26)27-4)21-16(24)12-22-8-10-23(11-9-22)14(3)18(25)20-15-6-7-15/h13-15,17H,5-12H2,1-4H3,(H,20,25)(H,21,24)/t13-,14-,17-/m0/s1.
What are the key properties of methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate?
methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate has a molecular weight of 382.51 g/mol, XLogP of -0.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate is sourced from PubChem (CID 31689500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).