(2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide

C10H17N3O — CID 69140293

IUPAC(2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1(C#N)CC1
InChIInChI=1S/C10H17N3O/c1-7(2)5-8(12)9(14)13-10(6-11)3-4-10/h7-8H,3-5,12H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyDQRKIUITMYIHNH-QMMMGPOBSA-N
MW195.27 g/mol
LogP0.53
Rot. Bonds4

About (2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide

(2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide (PubChem CID 69140293) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide
PubChem CID69140293
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1(C#N)CC1
InChIInChI=1S/C10H17N3O/c1-7(2)5-8(12)9(14)13-10(6-11)3-4-10/h7-8H,3-5,12H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyDQRKIUITMYIHNH-QMMMGPOBSA-N
XLogP0.53
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide (CID 69140293) is (2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC1(C#N)CC1.
What is the InChIKey of (2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide?
The InChIKey is DQRKIUITMYIHNH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)5-8(12)9(14)13-10(6-11)3-4-10/h7-8H,3-5,12H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide?
(2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide has a molecular weight of 195.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-cyanocyclopropyl)-4-methylpentanamide is sourced from PubChem (CID 69140293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).