(2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide

C13H24N2O — CID 79012331

IUPAC(2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C13H24N2O/c1-9(2)12(14)13(16)15(7-10-3-4-10)8-11-5-6-11/h9-12H,3-8,14H2,1-2H3/t12-/m1/s1
InChIKeyBZSVNUBXYCDQLX-GFCCVEGCSA-N
MW224.35 g/mol
LogP1.62
Rot. Bonds6

About (2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide

(2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide (PubChem CID 79012331) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide
PubChem CID79012331
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N(CC1CC1)CC1CC1
InChIInChI=1S/C13H24N2O/c1-9(2)12(14)13(16)15(7-10-3-4-10)8-11-5-6-11/h9-12H,3-8,14H2,1-2H3/t12-/m1/s1
InChIKeyBZSVNUBXYCDQLX-GFCCVEGCSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(cyclopropylmethyl)-N,3-dimethylbutanamide
CID 79013234
2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
CID 119279206
2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide
CID 107398412
(2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide
CID 113304824
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-methylpentanamide
CID 63954154
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
CID 62921574
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide
CID 63954762
tert-butyl (3R)-3-[[[(2S)-2-amino-3-methylbutanoyl]-ethylamino]methyl]pyrrolidine-1-carboxylate
CID 96552220
2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 79022935
(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
2-amino-N-ethyl-3-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]butanamide
CID 121226139

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide (CID 79012331) is (2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide is CC(C)[C@@H](N)C(=O)N(CC1CC1)CC1CC1.
What is the InChIKey of (2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide?
The InChIKey is BZSVNUBXYCDQLX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9(2)12(14)13(16)15(7-10-3-4-10)8-11-5-6-11/h9-12H,3-8,14H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide?
(2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide has a molecular weight of 224.35 g/mol, XLogP of 1.62, 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,N-bis(cyclopropylmethyl)-3-methylbutanamide is sourced from PubChem (CID 79012331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).