N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide

C7H15N3O2 — CID 170202980

IUPACN-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide
SMILESCC(C)C[C@H](N)C(=O)NNC=O
InChIInChI=1S/C7H15N3O2/c1-5(2)3-6(8)7(12)10-9-4-11/h4-6H,3,8H2,1-2H3,(H,9,11)(H,10,12)/t6-/m0/s1
InChIKeyRJXGUSSCBBMNHF-LURJTMIESA-N
MW173.22 g/mol
LogP-0.86
Rot. Bonds5

About N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide

N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide (PubChem CID 170202980) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide.

Molecular Properties

Compound NameN-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide
PubChem CID170202980
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC NameN-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide
SMILESCC(C)C[C@H](N)C(=O)NNC=O
InChIInChI=1S/C7H15N3O2/c1-5(2)3-6(8)7(12)10-9-4-11/h4-6H,3,8H2,1-2H3,(H,9,11)(H,10,12)/t6-/m0/s1
InChIKeyRJXGUSSCBBMNHF-LURJTMIESA-N
XLogP-0.86
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
(2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide
CID 103812202
2-amino-4-methyl-N-(1-oxo-3-sulfanylpropan-2-yl)pentanamide
CID 173010831
(2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide
CID 18652043
2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
CID 19826425
2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
CID 115740467
2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472316
methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate
CID 5159380
(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61470844
(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide
CID 104921655
(2S)-2-amino-N-butanoyl-4-methylpentanamide
CID 150853762

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide?
The IUPAC name of N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide (CID 170202980) is N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide.
What is the SMILES notation for N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide?
The canonical SMILES for N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide is CC(C)C[C@H](N)C(=O)NNC=O.
What is the InChIKey of N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide?
The InChIKey is RJXGUSSCBBMNHF-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O2/c1-5(2)3-6(8)7(12)10-9-4-11/h4-6H,3,8H2,1-2H3,(H,9,11)(H,10,12)/t6-/m0/s1.
What are the key properties of N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide?
N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide has a molecular weight of 173.22 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide is sourced from PubChem (CID 170202980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).