2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid

C8H16N2O3 — CID 65224335

IUPAC2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)[C@@H](C)N)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-6(8(12)13)4-10-7(11)5(2)9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6?/m1/s1
InChIKeyVUEFCTSOHRQTDZ-LWOQYNTDSA-N
MW188.23 g/mol
LogP-0.44
Rot. Bonds5

About 2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid

2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid (PubChem CID 65224335) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
PubChem CID65224335
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)[C@@H](C)N)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-6(8(12)13)4-10-7(11)5(2)9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6?/m1/s1
InChIKeyVUEFCTSOHRQTDZ-LWOQYNTDSA-N
XLogP-0.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminobutanoylamino)methyl]butanoic acid
CID 65224441
2-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]butanoic acid
CID 65224036
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]butanoic acid
CID 65224539
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
(2S)-2-amino-N-(2-hydroxybutyl)propanamide
CID 104866791
N-(2-aminopropyl)-2-ethylbutanamide
CID 63732725
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid
CID 65223783
2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid
CID 82689234
(2R)-2-[(prop-2-enoxycarbonylamino)methyl]butanoic acid
CID 167742277
2-[(2-ethylhexanoylamino)methyl]pentanoic acid
CID 65218605

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid (CID 65224335) is 2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid is CCC(CNC(=O)[C@@H](C)N)C(=O)O.
What is the InChIKey of 2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid?
The InChIKey is VUEFCTSOHRQTDZ-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-6(8(12)13)4-10-7(11)5(2)9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6?/m1/s1.
What are the key properties of 2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid?
2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65224335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).