(2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide

C13H26N2O — CID 104903331

IUPAC(2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C13H26N2O/c1-9(2)7-12(14)13(16)15(10(3)4)8-11-5-6-11/h9-12H,5-8,14H2,1-4H3/t12-/m1/s1
InChIKeyPQGZAHICCDUQLQ-GFCCVEGCSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds6

About (2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide

(2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide (PubChem CID 104903331) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide
PubChem CID104903331
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C13H26N2O/c1-9(2)7-12(14)13(16)15(10(3)4)8-11-5-6-11/h9-12H,5-8,14H2,1-4H3/t12-/m1/s1
InChIKeyPQGZAHICCDUQLQ-GFCCVEGCSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide?
The IUPAC name of (2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide (CID 104903331) is (2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide is CC(C)C[C@@H](N)C(=O)N(CC1CC1)C(C)C.
What is the InChIKey of (2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide?
The InChIKey is PQGZAHICCDUQLQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)7-12(14)13(16)15(10(3)4)8-11-5-6-11/h9-12H,5-8,14H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide?
(2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide has a molecular weight of 226.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 104903331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).