2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide

C13H23N3O4 — CID 144951091

IUPAC2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide
SMILESCCCC(NC(=O)CNC=O)C(=O)NCC(=O)C(C)C
InChIInChI=1S/C13H23N3O4/c1-4-5-10(16-12(19)7-14-8-17)13(20)15-6-11(18)9(2)3/h8-10H,4-7H2,1-3H3,(H,14,17)(H,15,20)(H,16,19)
InChIKeyVJKWEHUTDGHUQD-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.64
Rot. Bonds10

About 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide

2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide (PubChem CID 144951091) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide.

Molecular Properties

Compound Name2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide
PubChem CID144951091
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide
SMILESCCCC(NC(=O)CNC=O)C(=O)NCC(=O)C(C)C
InChIInChI=1S/C13H23N3O4/c1-4-5-10(16-12(19)7-14-8-17)13(20)15-6-11(18)9(2)3/h8-10H,4-7H2,1-3H3,(H,14,17)(H,15,20)(H,16,19)
InChIKeyVJKWEHUTDGHUQD-UHFFFAOYSA-N
XLogP-0.64
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)butanediamide
CID 178034065
N-ethyl-2-(methylamino)acetamide;4-[(2-formamidoacetyl)amino]-5-[(3-methyl-2-oxobutyl)amino]-5-oxopentanoic acid;methanethiol
CID 177034069
2-methyl-N-(3-methyl-2-oxobutyl)pentanamide
CID 64996979
N-(3-methyl-2-oxobutyl)formamide
CID 64997253
(4S)-4-acetamido-5-[[(2R)-1-[[2-[[(2R)-1-[[(2S)-4-carboxy-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CID 177034050
methyl 2-amino-5-[[2-[[2-[(2-formamidoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]pentanoate
CID 123601353
2-[(2-formamidoacetyl)amino]-3-hydroxypropanoic acid
CID 144619176
N-ethyl-2-formamidoacetamide
CID 14481878
methyl 5-amino-2-[(2-formamidoacetyl)amino]-5-oxopentanoate
CID 177316004
6-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-N-(3-methyl-2-oxobutyl)hexanamide
CID 170721451
4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide
CID 144649100
N-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide
CID 143642906

Frequently Asked Questions

What is the IUPAC name of 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide?
The IUPAC name of 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide (CID 144951091) is 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide.
What is the SMILES notation for 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide?
The canonical SMILES for 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide is CCCC(NC(=O)CNC=O)C(=O)NCC(=O)C(C)C.
What is the InChIKey of 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide?
The InChIKey is VJKWEHUTDGHUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-4-5-10(16-12(19)7-14-8-17)13(20)15-6-11(18)9(2)3/h8-10H,4-7H2,1-3H3,(H,14,17)(H,15,20)(H,16,19).
What are the key properties of 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide?
2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide has a molecular weight of 285.34 g/mol, XLogP of -0.64, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-formamidoacetyl)amino]-N-(3-methyl-2-oxobutyl)pentanamide is sourced from PubChem (CID 144951091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).