(4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid

C7H12N2O5 — CID 6427052

IUPAC(4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C7H12N2O5/c8-4(1-2-5(10)11)7(14)9-3-6(12)13/h4H,1-3,8H2,(H,9,14)(H,10,11)(H,12,13)/t4-/m0/s1
InChIKeyLSPKYLAFTPBWIL-BYPYZUCNSA-N
MW204.18 g/mol
LogP-1.62
Rot. Bonds6

About (4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid

(4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid (PubChem CID 6427052) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is (4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid
PubChem CID6427052
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name(4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C7H12N2O5/c8-4(1-2-5(10)11)7(14)9-3-6(12)13/h4H,1-3,8H2,(H,9,14)(H,10,11)(H,12,13)/t4-/m0/s1
InChIKeyLSPKYLAFTPBWIL-BYPYZUCNSA-N
XLogP-1.62
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid (CID 6427052) is (4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid is N[C@@H](CCC(=O)O)C(=O)NCC(=O)O.
What is the InChIKey of (4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid?
The InChIKey is LSPKYLAFTPBWIL-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H12N2O5/c8-4(1-2-5(10)11)7(14)9-3-6(12)13/h4H,1-3,8H2,(H,9,14)(H,10,11)(H,12,13)/t4-/m0/s1.
What are the key properties of (4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid?
(4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid has a molecular weight of 204.18 g/mol, XLogP of -1.62, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 6427052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).