(3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide

C14H24N4O4 — CID 146244894

IUPAC(3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)[C@@H](O)C2CC2)N1
InChIInChI=1S/C14H24N4O4/c1-8(16-13(21)11(19)9-5-6-9)14(22)18-7-3-4-10(17-18)12(20)15-2/h8-11,17,19H,3-7H2,1-2H3,(H,15,20)(H,16,21)/t8-,10-,11-/m0/s1
InChIKeyCIPRMSJHEYLWKE-LSJOCFKGSA-N
MW312.37 g/mol
LogP-1.50
Rot. Bonds5

About (3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide

(3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide (PubChem CID 146244894) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide
PubChem CID146244894
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC Name(3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)[C@@H](O)C2CC2)N1
InChIInChI=1S/C14H24N4O4/c1-8(16-13(21)11(19)9-5-6-9)14(22)18-7-3-4-10(17-18)12(20)15-2/h8-11,17,19H,3-7H2,1-2H3,(H,15,20)(H,16,21)/t8-,10-,11-/m0/s1
InChIKeyCIPRMSJHEYLWKE-LSJOCFKGSA-N
XLogP-1.50
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide with MolForge

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Related Compounds

[(2S)-3-methyl-1-[[(2S)-1-[(3S)-3-(methylcarbamoyl)diazinan-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl] but-3-enoate
CID 134235219
methyl (3S)-1-[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 163607557
1-[(2S)-2-[[(2S)-2-cyclohexyl-2-(propan-2-ylamino)acetyl]amino]propanoyl]diazinane-3-carboxylic acid
CID 163664307
1-[2-[(2-ethyl-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylic acid
CID 123928346
(3S)-N-[(1R)-1-(7-bromoquinolin-2-yl)ethyl]-1-[(2S)-2-[[(2S)-2-cyclobutyl-2-hydroxyacetyl]amino]propanoyl]diazinane-3-carboxamide
CID 86706103
ethyl (3S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 134185293
2,2,2-trichloroethyl (3S)-1-[(2S)-2-[[(2S)-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 118175776
2,2,2-trichloroethyl 1-[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 122448940
2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate
CID 123165659
(3S)-1-[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]propanoyl]-N-[(2R,4Z,6E)-3-iminonona-4,6,8-trien-2-yl]diazinane-3-carboxamide
CID 130196074
methyl (3S)-1-[(2S)-2-[[(2S)-2-(ethoxycarbonylamino)-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 130197663
(3S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]-N-[(1R)-1-(3-hydroxyphenyl)-2-methylpropyl]diazinane-3-carboxamide
CID 126629921

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide?
The IUPAC name of (3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide (CID 146244894) is (3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide?
The canonical SMILES for (3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide is CNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)[C@@H](O)C2CC2)N1.
What is the InChIKey of (3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide?
The InChIKey is CIPRMSJHEYLWKE-LSJOCFKGSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-8(16-13(21)11(19)9-5-6-9)14(22)18-7-3-4-10(17-18)12(20)15-2/h8-11,17,19H,3-7H2,1-2H3,(H,15,20)(H,16,21)/t8-,10-,11-/m0/s1.
What are the key properties of (3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide?
(3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of -1.50, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-2-[[(2S)-2-cyclopropyl-2-hydroxyacetyl]amino]propanoyl]-N-methyldiazinane-3-carboxamide is sourced from PubChem (CID 146244894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).