(2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid

C13H27NO2 — CID 122124273

IUPAC(2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid
SMILESCC(C)C(CN[C@@H](C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C13H27NO2/c1-8(2)11(9(3)4)7-14-12(10(5)6)13(15)16/h8-12,14H,7H2,1-6H3,(H,15,16)/t12-/m1/s1
InChIKeyOKULMHUKCRQSFB-GFCCVEGCSA-N
MW229.36 g/mol
LogP2.61
Rot. Bonds7

About (2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid

(2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid (PubChem CID 122124273) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid
PubChem CID122124273
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid
SMILESCC(C)C(CN[C@@H](C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C13H27NO2/c1-8(2)11(9(3)4)7-14-12(10(5)6)13(15)16/h8-12,14H,7H2,1-6H3,(H,15,16)/t12-/m1/s1
InChIKeyOKULMHUKCRQSFB-GFCCVEGCSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxypropylamino)-3-methylbutanoic acid
CID 21121256
(2S)-2-[[(2R)-2-hydroxypropyl]amino]-3-methylbutanoic acid
CID 58703522
(2S)-2-(2,3-dihydroxypropylamino)-3-methylbutanoic acid
CID 54486502
(2S)-2-[[(2S)-2,3-diaminopropyl]amino]-3-methylbutanoic acid
CID 59819419
2-[(3-chloro-2-hydroxypropyl)amino]-3-methylbutanoic acid
CID 156963523
2-(butan-2-ylamino)-3-methylbutanoic acid
CID 12837669
2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid
CID 103259023
(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid
CID 45082351
(3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one
CID 58693175
(2S)-3-methyl-2-[(1,1,2,2-tetradeuterio-2-hydroxyethyl)amino]butanoic acid
CID 131667803
3-methyl-2-(2,2,2-trifluoroethylamino)butanoic acid;hydrochloride
CID 138109921
3-methyl-2-(3-oxopropylamino)butanoic acid
CID 59132005

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid (CID 122124273) is (2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid is CC(C)C(CN[C@@H](C(=O)O)C(C)C)C(C)C.
What is the InChIKey of (2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid?
The InChIKey is OKULMHUKCRQSFB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27NO2/c1-8(2)11(9(3)4)7-14-12(10(5)6)13(15)16/h8-12,14H,7H2,1-6H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid?
(2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid has a molecular weight of 229.36 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid is sourced from PubChem (CID 122124273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).