(3R)-3-(carboxymethylamino)butanoic acid

C6H11NO4 — CID 127021030

IUPAC(3R)-3-(carboxymethylamino)butanoic acid
SMILESC[C@H](CC(=O)O)NCC(=O)O
InChIInChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1
InChIKeyVRGLRLBEHJTRMK-SCSAIBSYSA-N
MW161.16 g/mol
LogP-0.48
Rot. Bonds5

About (3R)-3-(carboxymethylamino)butanoic acid

(3R)-3-(carboxymethylamino)butanoic acid (PubChem CID 127021030) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (3R)-3-(carboxymethylamino)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(carboxymethylamino)butanoic acid
PubChem CID127021030
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(3R)-3-(carboxymethylamino)butanoic acid
SMILESC[C@H](CC(=O)O)NCC(=O)O
InChIInChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1
InChIKeyVRGLRLBEHJTRMK-SCSAIBSYSA-N
XLogP-0.48
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carboxymethylamino)butanoic acid?
The IUPAC name of (3R)-3-(carboxymethylamino)butanoic acid (CID 127021030) is (3R)-3-(carboxymethylamino)butanoic acid.
What is the SMILES notation for (3R)-3-(carboxymethylamino)butanoic acid?
The canonical SMILES for (3R)-3-(carboxymethylamino)butanoic acid is C[C@H](CC(=O)O)NCC(=O)O.
What is the InChIKey of (3R)-3-(carboxymethylamino)butanoic acid?
The InChIKey is VRGLRLBEHJTRMK-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1.
What are the key properties of (3R)-3-(carboxymethylamino)butanoic acid?
(3R)-3-(carboxymethylamino)butanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carboxymethylamino)butanoic acid is sourced from PubChem (CID 127021030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).