(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid

C11H18N4O5 — CID 61201562

IUPAC(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)NCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C11H18N4O5/c12-8(16)4-3-7(10(18)19)15-11(20)13-5-9(17)14-6-1-2-6/h6-7H,1-5H2,(H2,12,16)(H,14,17)(H,18,19)(H2,13,15,20)/t7-/m0/s1
InChIKeyZRYQAYOIHBFCIK-ZETCQYMHSA-N
MW286.29 g/mol
LogP-1.72
Rot. Bonds8

About (2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid

(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid (PubChem CID 61201562) has the molecular formula C11H18N4O5 and a molecular weight of 286.29 g/mol. Its IUPAC name is (2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid
PubChem CID61201562
Molecular FormulaC11H18N4O5
Molecular Weight286.29 g/mol
Exact Mass286.13
IUPAC Name(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)NCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C11H18N4O5/c12-8(16)4-3-7(10(18)19)15-11(20)13-5-9(17)14-6-1-2-6/h6-7H,1-5H2,(H2,12,16)(H,14,17)(H,18,19)(H2,13,15,20)/t7-/m0/s1
InChIKeyZRYQAYOIHBFCIK-ZETCQYMHSA-N
XLogP-1.72
TPSA150.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-1.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
(2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 107831097
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664
5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 114618020
5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid
CID 61156701
(2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 104940138
(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
CID 107830570
6-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-2-methylheptanoic acid
CID 65290228
5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid
CID 113363508
(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid
CID 62406706
(2R)-5-amino-2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107830775
5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid (CID 61201562) is (2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)NCC(=O)NC1CC1)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid?
The InChIKey is ZRYQAYOIHBFCIK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18N4O5/c12-8(16)4-3-7(10(18)19)15-11(20)13-5-9(17)14-6-1-2-6/h6-7H,1-5H2,(H2,12,16)(H,14,17)(H,18,19)(H2,13,15,20)/t7-/m0/s1.
What are the key properties of (2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid?
(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid has a molecular weight of 286.29 g/mol, XLogP of -1.72, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61201562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).