(2R)-2-acetamido-5-amino-5-oxopentanoate

C7H11N2O4- — CID 36691075

IUPAC(2R)-2-acetamido-5-amino-5-oxopentanoate
SMILESCC(=O)N[C@H](CCC(N)=O)C(=O)[O-]
InChIInChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/p-1/t5-/m1/s1
InChIKeyKSMRODHGGIIXDV-RXMQYKEDSA-M
MW187.17 g/mol
LogP-2.49
Rot. Bonds5

About (2R)-2-acetamido-5-amino-5-oxopentanoate

(2R)-2-acetamido-5-amino-5-oxopentanoate (PubChem CID 36691075) has the molecular formula C7H11N2O4- and a molecular weight of 187.17 g/mol. Its IUPAC name is (2R)-2-acetamido-5-amino-5-oxopentanoate.

Molecular Properties

Compound Name(2R)-2-acetamido-5-amino-5-oxopentanoate
PubChem CID36691075
Molecular FormulaC7H11N2O4-
Molecular Weight187.17 g/mol
Exact Mass187.07
IUPAC Name(2R)-2-acetamido-5-amino-5-oxopentanoate
SMILESCC(=O)N[C@H](CCC(N)=O)C(=O)[O-]
InChIInChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/p-1/t5-/m1/s1
InChIKeyKSMRODHGGIIXDV-RXMQYKEDSA-M
XLogP-2.49
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-2.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-5-amino-5-oxopentanoate?
The IUPAC name of (2R)-2-acetamido-5-amino-5-oxopentanoate (CID 36691075) is (2R)-2-acetamido-5-amino-5-oxopentanoate.
What is the SMILES notation for (2R)-2-acetamido-5-amino-5-oxopentanoate?
The canonical SMILES for (2R)-2-acetamido-5-amino-5-oxopentanoate is CC(=O)N[C@H](CCC(N)=O)C(=O)[O-].
What is the InChIKey of (2R)-2-acetamido-5-amino-5-oxopentanoate?
The InChIKey is KSMRODHGGIIXDV-RXMQYKEDSA-M. The full InChI is InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/p-1/t5-/m1/s1.
What are the key properties of (2R)-2-acetamido-5-amino-5-oxopentanoate?
(2R)-2-acetamido-5-amino-5-oxopentanoate has a molecular weight of 187.17 g/mol, XLogP of -2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-5-amino-5-oxopentanoate is sourced from PubChem (CID 36691075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).