N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide

C14H26N4O3 — CID 66608699

IUPACN-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)NC(=O)C1CCN1)C(C)(C)C
InChIInChI=1S/C14H26N4O3/c1-8(15-5)11(19)17-10(14(2,3)4)13(21)18-12(20)9-6-7-16-9/h8-10,15-16H,6-7H2,1-5H3,(H,17,19)(H,18,20,21)/t8-,9?,10+/m0/s1
InChIKeyKCHVGCCSRBDHNE-DJBFQZMMSA-N
MW298.39 g/mol
LogP-0.87
Rot. Bonds5

About N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide

N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide (PubChem CID 66608699) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide
PubChem CID66608699
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC NameN-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)NC(=O)C1CCN1)C(C)(C)C
InChIInChI=1S/C14H26N4O3/c1-8(15-5)11(19)17-10(14(2,3)4)13(21)18-12(20)9-6-7-16-9/h8-10,15-16H,6-7H2,1-5H3,(H,17,19)(H,18,20,21)/t8-,9?,10+/m0/s1
InChIKeyKCHVGCCSRBDHNE-DJBFQZMMSA-N
XLogP-0.87
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-piperidin-3-yl]butanamide
CID 167012122
(2R)-N-propan-2-ylazetidine-2-carboxamide
CID 128886462
(2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride
CID 130636662
(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 61467430
(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 71168276
N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide
CID 114240215
1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 66608629
(2S)-N-[(2S)-4-[4-[(2,4-difluorophenyl)methylamino]-7-methoxyquinazolin-6-yl]-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 66608857
(2R)-N-(3-hydroxy-2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 104901499
(2S)-N-[(2S)-4-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 66609751
4-amino-1-[(2S)-3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]pyrrolidine-2-carboxamide
CID 145496642
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide (CID 66608699) is N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide is CN[C@@H](C)C(=O)N[C@H](C(=O)NC(=O)C1CCN1)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide?
The InChIKey is KCHVGCCSRBDHNE-DJBFQZMMSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-8(15-5)11(19)17-10(14(2,3)4)13(21)18-12(20)9-6-7-16-9/h8-10,15-16H,6-7H2,1-5H3,(H,17,19)(H,18,20,21)/t8-,9?,10+/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide?
N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of -0.87, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]azetidine-2-carboxamide is sourced from PubChem (CID 66608699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).