(2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide

C9H17N3O3 — CID 163530285

IUPAC(2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide
SMILESCC(C)C[C@H](NC=O)C(=O)NCC(N)=O
InChIInChI=1S/C9H17N3O3/c1-6(2)3-7(12-5-13)9(15)11-4-8(10)14/h5-7H,3-4H2,1-2H3,(H2,10,14)(H,11,15)(H,12,13)/t7-/m0/s1
InChIKeyDSKAXOFGMHPCFM-ZETCQYMHSA-N
MW215.25 g/mol
LogP-1.25
Rot. Bonds7

About (2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide

(2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide (PubChem CID 163530285) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide
PubChem CID163530285
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name(2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide
SMILESCC(C)C[C@H](NC=O)C(=O)NCC(N)=O
InChIInChI=1S/C9H17N3O3/c1-6(2)3-7(12-5-13)9(15)11-4-8(10)14/h5-7H,3-4H2,1-2H3,(H2,10,14)(H,11,15)(H,12,13)/t7-/m0/s1
InChIKeyDSKAXOFGMHPCFM-ZETCQYMHSA-N
XLogP-1.25
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.25
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

N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane
CID 170598149
ethyl (2S)-2-formamido-4-methylpentanoate
CID 54441995
2-(2-formamidopentanoylamino)-4-methylpentanamide
CID 130441873
N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidin-1-ium-4-carboxamide
CID 7075093
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide;hydrochloride
CID 91619283
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide
CID 166630178
4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
CID 80541244
(2R)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 51387302
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]thiolane-2-carboxamide
CID 54253945
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)(15N)amino]-4-methyl-1-oxo(113C)pentan-2-yl]pyrrolidine-2-carboxamide
CID 10266003
2-formamido-5-methyl-N-[2-[[4-methyl-1-(3-methyloxaziridin-3-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]hexanamide
CID 123242774
2-[[(2S)-2,4-dimethylpentanoyl]amino]acetic acid
CID 134236014

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide?
The IUPAC name of (2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide (CID 163530285) is (2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide.
What is the SMILES notation for (2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide?
The canonical SMILES for (2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide is CC(C)C[C@H](NC=O)C(=O)NCC(N)=O.
What is the InChIKey of (2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide?
The InChIKey is DSKAXOFGMHPCFM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(2)3-7(12-5-13)9(15)11-4-8(10)14/h5-7H,3-4H2,1-2H3,(H2,10,14)(H,11,15)(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide?
(2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide has a molecular weight of 215.25 g/mol, XLogP of -1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide is sourced from PubChem (CID 163530285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).