2-(2-formamidopentanoylamino)-4-methylpentanamide

C12H23N3O3 — CID 130441873

IUPAC2-(2-formamidopentanoylamino)-4-methylpentanamide
SMILESCCCC(NC=O)C(=O)NC(CC(C)C)C(N)=O
InChIInChI=1S/C12H23N3O3/c1-4-5-9(14-7-16)12(18)15-10(11(13)17)6-8(2)3/h7-10H,4-6H2,1-3H3,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyVHWDCTDGLPWDQL-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.08
Rot. Bonds9

About 2-(2-formamidopentanoylamino)-4-methylpentanamide

2-(2-formamidopentanoylamino)-4-methylpentanamide (PubChem CID 130441873) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(2-formamidopentanoylamino)-4-methylpentanamide.

Molecular Properties

Compound Name2-(2-formamidopentanoylamino)-4-methylpentanamide
PubChem CID130441873
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(2-formamidopentanoylamino)-4-methylpentanamide
SMILESCCCC(NC=O)C(=O)NC(CC(C)C)C(N)=O
InChIInChI=1S/C12H23N3O3/c1-4-5-9(14-7-16)12(18)15-10(11(13)17)6-8(2)3/h7-10H,4-6H2,1-3H3,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyVHWDCTDGLPWDQL-UHFFFAOYSA-N
XLogP-0.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-formamido-4-methylpentanoate
CID 54441995
2-formamido-N-(2-methyl-5-oxoheptan-4-yl)-4-methylsulfanylbutanamide
CID 123955651
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 7282367
(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 71442645
(2S)-2-[[(2S)-5-amino-2-(butanoylamino)pentanoyl]amino]-4-methylpentanamide
CID 138591148
2-formamidobutanamide
CID 55291106
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
(2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide
CID 163530285
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-sulfanylacetyl)amino]pentanoyl]amino]pentanamide
CID 46882769
CID 168915455
CID 168915455
(2S)-N-(1-amino-1-oxopentan-2-yl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide
CID 71525827
2-(2-formamidopropanoylamino)-4-methylpentanoic acid
CID 131864242

Frequently Asked Questions

What is the IUPAC name of 2-(2-formamidopentanoylamino)-4-methylpentanamide?
The IUPAC name of 2-(2-formamidopentanoylamino)-4-methylpentanamide (CID 130441873) is 2-(2-formamidopentanoylamino)-4-methylpentanamide.
What is the SMILES notation for 2-(2-formamidopentanoylamino)-4-methylpentanamide?
The canonical SMILES for 2-(2-formamidopentanoylamino)-4-methylpentanamide is CCCC(NC=O)C(=O)NC(CC(C)C)C(N)=O.
What is the InChIKey of 2-(2-formamidopentanoylamino)-4-methylpentanamide?
The InChIKey is VHWDCTDGLPWDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-5-9(14-7-16)12(18)15-10(11(13)17)6-8(2)3/h7-10H,4-6H2,1-3H3,(H2,13,17)(H,14,16)(H,15,18).
What are the key properties of 2-(2-formamidopentanoylamino)-4-methylpentanamide?
2-(2-formamidopentanoylamino)-4-methylpentanamide has a molecular weight of 257.33 g/mol, XLogP of -0.08, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formamidopentanoylamino)-4-methylpentanamide is sourced from PubChem (CID 130441873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).