(2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid

C17H25N5O4 — CID 126482980

IUPAC(2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)N1CCC(C(=O)Nc2cnccn2)CC1)C(=O)O
InChIInChI=1S/C17H25N5O4/c1-11(2)9-13(16(24)25)20-17(26)22-7-3-12(4-8-22)15(23)21-14-10-18-5-6-19-14/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,20,26)(H,24,25)(H,19,21,23)/t13-/m0/s1
InChIKeyBMTPVRWYBPJHGN-ZDUSSCGKSA-N
MW363.42 g/mol
LogP1.34
Rot. Bonds6

About (2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid

(2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid (PubChem CID 126482980) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
PubChem CID126482980
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name(2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)N1CCC(C(=O)Nc2cnccn2)CC1)C(=O)O
InChIInChI=1S/C17H25N5O4/c1-11(2)9-13(16(24)25)20-17(26)22-7-3-12(4-8-22)15(23)21-14-10-18-5-6-19-14/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,20,26)(H,24,25)(H,19,21,23)/t13-/m0/s1
InChIKeyBMTPVRWYBPJHGN-ZDUSSCGKSA-N
XLogP1.34
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

1-N-pyrazin-2-ylpiperidine-1,4-dicarboxamide
CID 110492224
(2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid
CID 78976051
(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 104874475
2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61199167
2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 62083485
4-N-pyrazin-2-yl-1-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47050033
(2R)-4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 78944969
N-pyrazin-2-ylpyrrolidine-1-carboxamide
CID 110492109
(2S)-2-[[(2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 69164400
methyl (2S)-4-methyl-2-[[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]amino]pentanoate
CID 126483046
1-N-[(2S)-4-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]-4-N-pyrimidin-2-ylpiperidine-1,4-dicarboxamide
CID 155558150
(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
CID 79165632

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid (CID 126482980) is (2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid is CC(C)C[C@H](NC(=O)N1CCC(C(=O)Nc2cnccn2)CC1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is BMTPVRWYBPJHGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-11(2)9-13(16(24)25)20-17(26)22-7-3-12(4-8-22)15(23)21-14-10-18-5-6-19-14/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,20,26)(H,24,25)(H,19,21,23)/t13-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid has a molecular weight of 363.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 126482980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).