(2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid

C9H15N3O4 — CID 83194919

IUPAC(2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
SMILESC[C@H](NCC(=O)NC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C9H15N3O4/c1-5(8(14)15)10-4-7(13)12-9(16)11-6-2-3-6/h5-6,10H,2-4H2,1H3,(H,14,15)(H2,11,12,13,16)/t5-/m0/s1
InChIKeyIXMCQTRKWSPWMN-YFKPBYRVSA-N
MW229.24 g/mol
LogP-0.96
Rot. Bonds5

About (2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid

(2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 83194919) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is (2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID83194919
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name(2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
SMILESC[C@H](NCC(=O)NC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C9H15N3O4/c1-5(8(14)15)10-4-7(13)12-9(16)11-6-2-3-6/h5-6,10H,2-4H2,1H3,(H,14,15)(H2,11,12,13,16)/t5-/m0/s1
InChIKeyIXMCQTRKWSPWMN-YFKPBYRVSA-N
XLogP-0.96
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83194615
(2S)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83192651
6-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65289330
(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
(2S)-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]propanoic acid
CID 83193774
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638909
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 9335295
N-(cyclopentylcarbamoyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132078
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79391522
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]propanoic acid
CID 43466816
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-diethylpropanamide
CID 43420346

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid (CID 83194919) is (2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid is C[C@H](NCC(=O)NC(=O)NC1CC1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is IXMCQTRKWSPWMN-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-5(8(14)15)10-4-7(13)12-9(16)11-6-2-3-6/h5-6,10H,2-4H2,1H3,(H,14,15)(H2,11,12,13,16)/t5-/m0/s1.
What are the key properties of (2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid?
(2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 229.24 g/mol, XLogP of -0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 83194919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).