(2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid

C15H29NO3 — CID 54440657

IUPAC(2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid
SMILESCCN(CC(C)(C)C)C(=O)C[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C15H29NO3/c1-7-16(10-15(4,5)6)13(17)9-12(14(18)19)8-11(2)3/h11-12H,7-10H2,1-6H3,(H,18,19)/t12-/m1/s1
InChIKeyWNWBVMODABOSQN-GFCCVEGCSA-N
MW271.40 g/mol
LogP3.02
Rot. Bonds7

About (2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid

(2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid (PubChem CID 54440657) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is (2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid
PubChem CID54440657
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name(2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid
SMILESCCN(CC(C)(C)C)C(=O)C[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C15H29NO3/c1-7-16(10-15(4,5)6)13(17)9-12(14(18)19)8-11(2)3/h11-12H,7-10H2,1-6H3,(H,18,19)/t12-/m1/s1
InChIKeyWNWBVMODABOSQN-GFCCVEGCSA-N
XLogP3.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid (CID 54440657) is (2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid is CCN(CC(C)(C)C)C(=O)C[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid?
The InChIKey is WNWBVMODABOSQN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H29NO3/c1-7-16(10-15(4,5)6)13(17)9-12(14(18)19)8-11(2)3/h11-12H,7-10H2,1-6H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid?
(2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid has a molecular weight of 271.40 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[2,2-dimethylpropyl(ethyl)amino]-2-oxoethyl]-4-methylpentanoic acid is sourced from PubChem (CID 54440657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).