(2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid

C17H25N3O5 — CID 120694902

IUPAC(2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CNC(=O)c1ccc(OC(C)C)nc1)C(=O)O
InChIInChI=1S/C17H25N3O5/c1-10(2)7-13(17(23)24)20-14(21)9-19-16(22)12-5-6-15(18-8-12)25-11(3)4/h5-6,8,10-11,13H,7,9H2,1-4H3,(H,19,22)(H,20,21)(H,23,24)/t13-/m0/s1
InChIKeyNPQGSERIQUVJNK-ZDUSSCGKSA-N
MW351.40 g/mol
LogP1.21
Rot. Bonds9

About (2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid

(2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid (PubChem CID 120694902) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid
PubChem CID120694902
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name(2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)CNC(=O)c1ccc(OC(C)C)nc1)C(=O)O
InChIInChI=1S/C17H25N3O5/c1-10(2)7-13(17(23)24)20-14(21)9-19-16(22)12-5-6-15(18-8-12)25-11(3)4/h5-6,8,10-11,13H,7,9H2,1-4H3,(H,19,22)(H,20,21)(H,23,24)/t13-/m0/s1
InChIKeyNPQGSERIQUVJNK-ZDUSSCGKSA-N
XLogP1.21
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid with MolForge

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Related Compounds

2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119223780
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 120516056
(2S)-2-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695696
(2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694973
(2S)-2-[[2-[(4-chloro-3-methoxybenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694598
4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119137026
(2S)-2-[[2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695148
(2S)-4-methyl-2-[[2-[(1-propylpyrazole-4-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695177
(2S)-2-[[2-[(4-amino-3-nitrobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694578
(2S)-2-[[2-[(4-ethyl-3-nitrobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694616
(2S)-4-methyl-2-[[2-[(3-methylpyridine-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695622
(2S)-4-methyl-2-[[2-(thiadiazole-5-carbonylamino)acetyl]amino]pentanoic acid
CID 120695799

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid (CID 120694902) is (2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(OC(C)C)nc1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is NPQGSERIQUVJNK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-10(2)7-13(17(23)24)20-14(21)9-19-16(22)12-5-6-15(18-8-12)25-11(3)4/h5-6,8,10-11,13H,7,9H2,1-4H3,(H,19,22)(H,20,21)(H,23,24)/t13-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 351.40 g/mol, XLogP of 1.21, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 120694902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).