(2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid

C14H17N3O2 — CID 120964573

IUPAC(2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid
SMILESCC(C)C[C@H](Nc1ccnc2ccncc12)C(=O)O
InChIInChI=1S/C14H17N3O2/c1-9(2)7-13(14(18)19)17-12-4-6-16-11-3-5-15-8-10(11)12/h3-6,8-9,13H,7H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyUOPVGYPMEJKITJ-ZDUSSCGKSA-N
MW259.31 g/mol
LogP2.54
Rot. Bonds5

About (2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid

(2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid (PubChem CID 120964573) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid
PubChem CID120964573
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid
SMILESCC(C)C[C@H](Nc1ccnc2ccncc12)C(=O)O
InChIInChI=1S/C14H17N3O2/c1-9(2)7-13(14(18)19)17-12-4-6-16-11-3-5-15-8-10(11)12/h3-6,8-9,13H,7H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyUOPVGYPMEJKITJ-ZDUSSCGKSA-N
XLogP2.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(7-fluoroquinolin-4-yl)amino]-4-methylpentanoic acid
CID 122050192
4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid
CID 122062498
2-[(3-chloro-2-methyl-4-pyridinyl)amino]-4-methylpentanoic acid
CID 122062515
(2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
CID 120964135
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 120964579
methyl 2-[(3-chloro-4-pyridinyl)amino]-4-methylpentanoate
CID 79840523
4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 64584680
4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 66328053
5-methoxy-2-(quinolin-4-ylamino)pentanoic acid
CID 81078422
(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122049164
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
(2S)-2-[(2-benzylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122050124

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid (CID 120964573) is (2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid is CC(C)C[C@H](Nc1ccnc2ccncc12)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid?
The InChIKey is UOPVGYPMEJKITJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)7-13(14(18)19)17-12-4-6-16-11-3-5-15-8-10(11)12/h3-6,8-9,13H,7H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid?
(2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(1,6-naphthyridin-4-ylamino)pentanoic acid is sourced from PubChem (CID 120964573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).