(2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid

C9H14ClN3O4 — CID 107831097

IUPAC(2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid
SMILESC=C(Cl)CNC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C9H14ClN3O4/c1-5(10)4-12-9(17)13-6(8(15)16)2-3-7(11)14/h6H,1-4H2,(H2,11,14)(H,15,16)(H2,12,13,17)/t6-/m1/s1
InChIKeyPFMMDARXGNPFPI-ZCFIWIBFSA-N
MW263.68 g/mol
LogP-0.24
Rot. Bonds7

About (2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 107831097) has the molecular formula C9H14ClN3O4 and a molecular weight of 263.68 g/mol. Its IUPAC name is (2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid
PubChem CID107831097
Molecular FormulaC9H14ClN3O4
Molecular Weight263.68 g/mol
Exact Mass263.07
IUPAC Name(2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid
SMILESC=C(Cl)CNC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C9H14ClN3O4/c1-5(10)4-12-9(17)13-6(8(15)16)2-3-7(11)14/h6H,1-4H2,(H2,11,14)(H,15,16)(H2,12,13,17)/t6-/m1/s1
InChIKeyPFMMDARXGNPFPI-ZCFIWIBFSA-N
XLogP-0.24
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 114618020
(2S)-5-amino-2-(2-methylprop-2-enylcarbamoylamino)-5-oxopentanoic acid
CID 104940138
(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid
CID 61201562
5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid
CID 142578734
(2R)-5-amino-5-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoic acid
CID 107830131
(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
CID 61209238
(2S)-5-amino-2-(3-aminopropylcarbamoylamino)-5-oxopentanoic acid
CID 62273655
(2S)-5-amino-2-(benzylcarbamoylamino)-5-oxopentanoic acid
CID 61181145
5-amino-2-[(1-carboxy-4-oxobutyl)carbamoylamino]-5-oxopentanoic acid
CID 137398829
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825557

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid (CID 107831097) is (2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid is C=C(Cl)CNC(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is PFMMDARXGNPFPI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14ClN3O4/c1-5(10)4-12-9(17)13-6(8(15)16)2-3-7(11)14/h6H,1-4H2,(H2,11,14)(H,15,16)(H2,12,13,17)/t6-/m1/s1.
What are the key properties of (2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 263.68 g/mol, XLogP of -0.24, 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-(2-chloroprop-2-enylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107831097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).