(2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate

C13H14N3O2- — CID 6927209

IUPAC(2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate
SMILESCC[C@@H](Nc1ncnc2ccc(C)cc12)C(=O)[O-]
InChIInChI=1S/C13H15N3O2/c1-3-10(13(17)18)16-12-9-6-8(2)4-5-11(9)14-7-15-12/h4-7,10H,3H2,1-2H3,(H,17,18)(H,14,15,16)/p-1/t10-/m1/s1
InChIKeyPFDYUSVIMPBSPD-SNVBAGLBSA-M
MW244.27 g/mol
LogP0.88
Rot. Bonds4

About (2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate

(2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate (PubChem CID 6927209) has the molecular formula C13H14N3O2- and a molecular weight of 244.27 g/mol. Its IUPAC name is (2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate.

Molecular Properties

Compound Name(2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate
PubChem CID6927209
Molecular FormulaC13H14N3O2-
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name(2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate
SMILESCC[C@@H](Nc1ncnc2ccc(C)cc12)C(=O)[O-]
InChIInChI=1S/C13H15N3O2/c1-3-10(13(17)18)16-12-9-6-8(2)4-5-11(9)14-7-15-12/h4-7,10H,3H2,1-2H3,(H,17,18)(H,14,15,16)/p-1/t10-/m1/s1
InChIKeyPFDYUSVIMPBSPD-SNVBAGLBSA-M
XLogP0.88
TPSA77.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate 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

2-[(6-bromoquinazolin-4-yl)amino]butanoic acid
CID 2787397
2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
CID 18558605
(2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol
CID 133428082
(2S)-N-(2-ethylsulfonylethyl)-2-[(6-methylquinazolin-4-yl)amino]propanamide
CID 126444405
(2R)-4-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6922206
diethyl 2-[[(6-methylquinazolin-4-yl)amino]methylidene]propanedioate
CID 13060478
(2S)-2-[(6-bromoquinazolin-4-yl)amino]-1-(4-methylpiperazin-1-yl)butan-1-one
CID 163215892
(2S,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6928136
methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate
CID 133429933
2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol
CID 133445213
(4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone
CID 142858154
4-amino-2-[(6-ethylquinazolin-4-yl)amino]-4-oxobutanoic acid
CID 21002705

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate?
The IUPAC name of (2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate (CID 6927209) is (2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate.
What is the SMILES notation for (2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate?
The canonical SMILES for (2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate is CC[C@@H](Nc1ncnc2ccc(C)cc12)C(=O)[O-].
What is the InChIKey of (2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate?
The InChIKey is PFDYUSVIMPBSPD-SNVBAGLBSA-M. The full InChI is InChI=1S/C13H15N3O2/c1-3-10(13(17)18)16-12-9-6-8(2)4-5-11(9)14-7-15-12/h4-7,10H,3H2,1-2H3,(H,17,18)(H,14,15,16)/p-1/t10-/m1/s1.
What are the key properties of (2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate?
(2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate has a molecular weight of 244.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate is sourced from PubChem (CID 6927209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).