4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid

C9H16N2O5 — CID 20671605

IUPAC4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid
SMILESCC(CC(=O)O)NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C9H16N2O5/c1-5(4-8(14)15)11-9(16)6(10)2-3-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyKWYTYDTXLBDQHU-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.84
Rot. Bonds7

About 4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid

4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid (PubChem CID 20671605) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid
PubChem CID20671605
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid
SMILESCC(CC(=O)O)NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C9H16N2O5/c1-5(4-8(14)15)11-9(16)6(10)2-3-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyKWYTYDTXLBDQHU-UHFFFAOYSA-N
XLogP-0.84
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid (CID 20671605) is 4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid is CC(CC(=O)O)NC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid?
The InChIKey is KWYTYDTXLBDQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-5(4-8(14)15)11-9(16)6(10)2-3-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid?
4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid has a molecular weight of 232.24 g/mol, XLogP of -0.84, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1-carboxypropan-2-ylamino)-5-oxopentanoic acid is sourced from PubChem (CID 20671605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).