(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid

C6H11NO4 — CID 10953819

IUPAC(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
SMILESC[C@H](N[C@@H](C)C(=O)O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-3(5(8)9)7-4(2)6(10)11/h3-4,7H,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
InChIKeyFIOHTMQGSFVHEZ-IMJSIDKUSA-N
MW161.16 g/mol
LogP-0.48
Rot. Bonds4

About (2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid

(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid (PubChem CID 10953819) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
PubChem CID10953819
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
SMILESC[C@H](N[C@@H](C)C(=O)O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-3(5(8)9)7-4(2)6(10)11/h3-4,7H,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
InChIKeyFIOHTMQGSFVHEZ-IMJSIDKUSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trisodium;2-(1-carboxyethylamino)propanedioic acid;hydride
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2-[[carboxy(hydroxy)methyl]amino]propanoic acid
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(2S)-2-(1,3-dihydroxypropan-2-ylamino)propanoic acid
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(2R)-2-[2-[(1S)-1-carboxyethyl]hydrazinyl]propanoic acid
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[(1-Carboxyethyl)amino]oxidanyl
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2-(1-sulfoethylamino)propanoic acid
CID 88774126
2-(2,6-dimethylheptan-4-ylamino)propanoic acid
CID 61499456
(2S)-2-(iodoamino)propanoic acid
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2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43467320

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid (CID 10953819) is (2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid is C[C@H](N[C@@H](C)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid?
The InChIKey is FIOHTMQGSFVHEZ-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3(5(8)9)7-4(2)6(10)11/h3-4,7H,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid?
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid is sourced from PubChem (CID 10953819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).