(2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid

C15H17N3O4 — CID 129470512

IUPAC(2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid
SMILESCOc1ccc(-c2ccnc(NC[C@](C)(O)C(=O)O)n2)cc1
InChIInChI=1S/C15H17N3O4/c1-15(21,13(19)20)9-17-14-16-8-7-12(18-14)10-3-5-11(22-2)6-4-10/h3-8,21H,9H2,1-2H3,(H,19,20)(H,16,17,18)/t15-/m0/s1
InChIKeyGNQZWXDIPOPTJP-HNNXBMFYSA-N
MW303.32 g/mol
LogP1.40
Rot. Bonds6

About (2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid

(2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid (PubChem CID 129470512) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid
PubChem CID129470512
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name(2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid
SMILESCOc1ccc(-c2ccnc(NC[C@](C)(O)C(=O)O)n2)cc1
InChIInChI=1S/C15H17N3O4/c1-15(21,13(19)20)9-17-14-16-8-7-12(18-14)10-3-5-11(22-2)6-4-10/h3-8,21H,9H2,1-2H3,(H,19,20)(H,16,17,18)/t15-/m0/s1
InChIKeyGNQZWXDIPOPTJP-HNNXBMFYSA-N
XLogP1.40
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-4-methylpentanoic acid
CID 122050014
N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)pyrimidin-2-amine
CID 46172980
2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-3-methylbutan-1-ol
CID 171989257
5-[[(3S,3aR,6S,6aR)-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 11912794
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 71655715
2-[ethyl-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclobutyl]amino]acetic acid
CID 122061635
2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
CID 116900147
4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide
CID 22142652
3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol
CID 136582865
4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
CID 116900581
N-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide
CID 73139550
2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300175

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid (CID 129470512) is (2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid is COc1ccc(-c2ccnc(NC[C@](C)(O)C(=O)O)n2)cc1.
What is the InChIKey of (2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid?
The InChIKey is GNQZWXDIPOPTJP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-15(21,13(19)20)9-17-14-16-8-7-12(18-14)10-3-5-11(22-2)6-4-10/h3-8,21H,9H2,1-2H3,(H,19,20)(H,16,17,18)/t15-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid?
(2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid has a molecular weight of 303.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 129470512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).