(2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid

C7H15NO2 — CID 93054816

IUPAC(2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid
SMILESCC[C@H](C)N[C@H](C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-4-5(2)8-6(3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyUZSWIPTUEFGJBF-NTSWFWBYSA-N
MW145.20 g/mol
LogP0.85
Rot. Bonds4

About (2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid

(2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid (PubChem CID 93054816) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid
PubChem CID93054816
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid
SMILESCC[C@H](C)N[C@H](C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-4-5(2)8-6(3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyUZSWIPTUEFGJBF-NTSWFWBYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-3-hydroxypropanoic acid
CID 79689063
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
2-(butan-2-ylamino)-3-methylbutanoic acid
CID 12837669
2-(1-carboxyethylamino)-3-methylpentanoic acid
CID 155253575
2-(nonan-2-ylamino)propanoic acid
CID 61499682
2-[[(1S)-1-carboxyethyl]amino]propanedioic acid
CID 87604666
(2S)-2-(1,3-dihydroxypropan-2-ylamino)propanoic acid
CID 139900903
(2S)-2-[[(2S)-butan-2-yl]amino]-4-sulfanylbutanoic acid
CID 88802141
2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
CID 43467311
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
N-butan-2-ylbutan-2-amine;sulfuric acid
CID 138397269
2-[[carboxy(hydroxy)methyl]amino]propanoic acid
CID 21195363

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid (CID 93054816) is (2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid is CC[C@H](C)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid?
The InChIKey is UZSWIPTUEFGJBF-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-5(2)8-6(3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5-,6+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid?
(2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid is sourced from PubChem (CID 93054816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).