(2R)-2-amino-3-(carboxymethoxy)propanoic acid

C5H9NO5 — CID 87968783

IUPAC(2R)-2-amino-3-(carboxymethoxy)propanoic acid
SMILESN[C@H](COCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO5/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKeyYHAOCTNMVPIAJZ-GSVOUGTGSA-N
MW163.13 g/mol
LogP-1.50
Rot. Bonds5

About (2R)-2-amino-3-(carboxymethoxy)propanoic acid

(2R)-2-amino-3-(carboxymethoxy)propanoic acid (PubChem CID 87968783) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is (2R)-2-amino-3-(carboxymethoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(carboxymethoxy)propanoic acid
PubChem CID87968783
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name(2R)-2-amino-3-(carboxymethoxy)propanoic acid
SMILESN[C@H](COCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO5/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKeyYHAOCTNMVPIAJZ-GSVOUGTGSA-N
XLogP-1.50
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
2-amino-3-(2-carboxyethoxy)propanoic acid
CID 138683261
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
2-amino-3-(3-aminopropoxy)propanoic acid
CID 18674791
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
(2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid
CID 121421901
2-amino-3-decoxypropanoic acid
CID 134329186
2-amino-3-(2-methylpentoxy)propanoic acid
CID 103282764
(2S)-2-amino-3-(2-hydroxyacetyl)oxypropanoic acid
CID 45122522
(2S)-2-amino-3-phosphorosooxypropanoic acid
CID 57139135
2-(3-methyl-2-propan-2-ylbutoxy)acetic acid
CID 87847477

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(carboxymethoxy)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(carboxymethoxy)propanoic acid (CID 87968783) is (2R)-2-amino-3-(carboxymethoxy)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(carboxymethoxy)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(carboxymethoxy)propanoic acid is N[C@H](COCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(carboxymethoxy)propanoic acid?
The InChIKey is YHAOCTNMVPIAJZ-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H9NO5/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1.
What are the key properties of (2R)-2-amino-3-(carboxymethoxy)propanoic acid?
(2R)-2-amino-3-(carboxymethoxy)propanoic acid has a molecular weight of 163.13 g/mol, XLogP of -1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(carboxymethoxy)propanoic acid is sourced from PubChem (CID 87968783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).