(2S)-2-(3-hydroxypropanoylamino)propanoic acid

C6H11NO4 — CID 126726083

IUPAC(2S)-2-(3-hydroxypropanoylamino)propanoic acid
SMILESC[C@H](NC(=O)CCO)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(6(10)11)7-5(9)2-3-8/h4,8H,2-3H2,1H3,(H,7,9)(H,10,11)/t4-/m0/s1
InChIKeyPNTHESDPBPTRGW-BYPYZUCNSA-N
MW161.16 g/mol
LogP-1.04
Rot. Bonds4

About (2S)-2-(3-hydroxypropanoylamino)propanoic acid

(2S)-2-(3-hydroxypropanoylamino)propanoic acid (PubChem CID 126726083) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2S)-2-(3-hydroxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-hydroxypropanoylamino)propanoic acid
PubChem CID126726083
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2S)-2-(3-hydroxypropanoylamino)propanoic acid
SMILESC[C@H](NC(=O)CCO)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(6(10)11)7-5(9)2-3-8/h4,8H,2-3H2,1H3,(H,7,9)(H,10,11)/t4-/m0/s1
InChIKeyPNTHESDPBPTRGW-BYPYZUCNSA-N
XLogP-1.04
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[22-[[(1R)-1-carboxyethyl]amino]-22-oxodocosanoyl]amino]propanoic acid
CID 100962390
(2R)-2-[[14-[[(1R)-1-carboxyethyl]amino]-14-oxotetradecanoyl]amino]propanoic acid
CID 100962387
(2S)-2-(3-hydroxypropanoylamino)-3-methylbutanoic acid
CID 87567267
5-(1-carboxyethylamino)-5-oxopentanoic acid
CID 20586207
5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 143725442
2-(3-methylsulfanylpropanoylamino)propanoic acid
CID 43183402
(2S)-2-(4-chlorobutanoylamino)propanoic acid
CID 18600219
2-(hexanoylamino)propanoic acid
CID 2828500
(2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid
CID 28777824
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
(2S)-2-(3-oxobutanoylamino)propanoic acid
CID 40571624
[4-(1-carboxyethylamino)-4-oxobutyl]-trimethylazanium
CID 102170838

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-hydroxypropanoylamino)propanoic acid?
The IUPAC name of (2S)-2-(3-hydroxypropanoylamino)propanoic acid (CID 126726083) is (2S)-2-(3-hydroxypropanoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(3-hydroxypropanoylamino)propanoic acid?
The canonical SMILES for (2S)-2-(3-hydroxypropanoylamino)propanoic acid is C[C@H](NC(=O)CCO)C(=O)O.
What is the InChIKey of (2S)-2-(3-hydroxypropanoylamino)propanoic acid?
The InChIKey is PNTHESDPBPTRGW-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(6(10)11)7-5(9)2-3-8/h4,8H,2-3H2,1H3,(H,7,9)(H,10,11)/t4-/m0/s1.
What are the key properties of (2S)-2-(3-hydroxypropanoylamino)propanoic acid?
(2S)-2-(3-hydroxypropanoylamino)propanoic acid has a molecular weight of 161.16 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-hydroxypropanoylamino)propanoic acid is sourced from PubChem (CID 126726083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).