(2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid

C7H14N2O4 — CID 131751168

IUPAC(2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid
SMILESCC(O)C(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-4(10)6(11)9-3-2-5(8)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4?,5-/m0/s1
InChIKeyBKHCIFAZUHUBPL-AKGZTFGVSA-N
MW190.20 g/mol
LogP-1.71
Rot. Bonds5

About (2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid

(2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid (PubChem CID 131751168) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid
PubChem CID131751168
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name(2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid
SMILESCC(O)C(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-4(10)6(11)9-3-2-5(8)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4?,5-/m0/s1
InChIKeyBKHCIFAZUHUBPL-AKGZTFGVSA-N
XLogP-1.71
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid (CID 131751168) is (2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid is CC(O)C(=O)NCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid?
The InChIKey is BKHCIFAZUHUBPL-AKGZTFGVSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-4(10)6(11)9-3-2-5(8)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4?,5-/m0/s1.
What are the key properties of (2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid?
(2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid has a molecular weight of 190.20 g/mol, XLogP of -1.71, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid is sourced from PubChem (CID 131751168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).