(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid

C11H19N3O4 — CID 107830570

IUPAC(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(NC(=O)N[C@H](CCC(N)=O)C(=O)O)C1CC1
InChIInChI=1S/C11H19N3O4/c1-6(7-2-3-7)13-11(18)14-8(10(16)17)4-5-9(12)15/h6-8H,2-5H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t6?,8-/m1/s1
InChIKeyJOMWEXZQRZSHLI-QFSRMBNQSA-N
MW257.29 g/mol
LogP-0.20
Rot. Bonds7

About (2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 107830570) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
PubChem CID107830570
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(NC(=O)N[C@H](CCC(N)=O)C(=O)O)C1CC1
InChIInChI=1S/C11H19N3O4/c1-6(7-2-3-7)13-11(18)14-8(10(16)17)4-5-9(12)15/h6-8H,2-5H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t6?,8-/m1/s1
InChIKeyJOMWEXZQRZSHLI-QFSRMBNQSA-N
XLogP-0.20
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61198675
2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid
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5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid
CID 113363508
(2S)-2-(1-cyclohexylethylcarbamoylamino)pentanedioic acid
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(2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 63996158
(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61189349
5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61199539
5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
CID 61188845
(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61465945
(2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61471308
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CID 104871385

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid (CID 107830570) is (2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid is CC(NC(=O)N[C@H](CCC(N)=O)C(=O)O)C1CC1.
What is the InChIKey of (2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is JOMWEXZQRZSHLI-QFSRMBNQSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-6(7-2-3-7)13-11(18)14-8(10(16)17)4-5-9(12)15/h6-8H,2-5H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t6?,8-/m1/s1.
What are the key properties of (2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.20, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(1-cyclopropylethylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107830570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).