(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide

C8H17N3O2 — CID 6994313

IUPAC(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)CN)C(N)=O
InChIInChI=1S/C8H17N3O2/c1-5(2)3-6(8(10)13)11-7(12)4-9/h5-6H,3-4,9H2,1-2H3,(H2,10,13)(H,11,12)/t6-/m0/s1
InChIKeyVLQRUHMMBPNZGY-LURJTMIESA-N
MW187.24 g/mol
LogP-1.04
Rot. Bonds5

About (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide

(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide (PubChem CID 6994313) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide
PubChem CID6994313
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)CN)C(N)=O
InChIInChI=1S/C8H17N3O2/c1-5(2)3-6(8(10)13)11-7(12)4-9/h5-6H,3-4,9H2,1-2H3,(H2,10,13)(H,11,12)/t6-/m0/s1
InChIKeyVLQRUHMMBPNZGY-LURJTMIESA-N
XLogP-1.04
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide?
The IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide (CID 6994313) is (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide is CC(C)C[C@H](NC(=O)CN)C(N)=O.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide?
The InChIKey is VLQRUHMMBPNZGY-LURJTMIESA-N. The full InChI is InChI=1S/C8H17N3O2/c1-5(2)3-6(8(10)13)11-7(12)4-9/h5-6H,3-4,9H2,1-2H3,(H2,10,13)(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide?
(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide has a molecular weight of 187.24 g/mol, XLogP of -1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)amino]-4-methylpentanamide is sourced from PubChem (CID 6994313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).