2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid

C9H17N3O4 — CID 61201929

IUPAC2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
SMILESCCCNC(=O)CNC(=O)NC(C)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-3-4-10-7(13)5-11-9(16)12-6(2)8(14)15/h6H,3-5H2,1-2H3,(H,10,13)(H,14,15)(H2,11,12,16)
InChIKeyICMBKUZGYRUBCF-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.72
Rot. Bonds6

About 2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid

2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid (PubChem CID 61201929) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
PubChem CID61201929
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
SMILESCCCNC(=O)CNC(=O)NC(C)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-3-4-10-7(13)5-11-9(16)12-6(2)8(14)15/h6H,3-5H2,1-2H3,(H,10,13)(H,14,15)(H2,11,12,16)
InChIKeyICMBKUZGYRUBCF-UHFFFAOYSA-N
XLogP-0.72
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]pentanoic acid
CID 61202686
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 16785652
2-methyl-3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 62669389
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 30111500
(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943097
(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
CID 61403135
2-(2-propylsulfonylethylcarbamoylamino)propanoic acid
CID 106722813
2-[[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]acetyl]amino]acetic acid
CID 61478804
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 43567045

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid?
The IUPAC name of 2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid (CID 61201929) is 2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid is CCCNC(=O)CNC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid?
The InChIKey is ICMBKUZGYRUBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-3-4-10-7(13)5-11-9(16)12-6(2)8(14)15/h6H,3-5H2,1-2H3,(H,10,13)(H,14,15)(H2,11,12,16).
What are the key properties of 2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid?
2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 61201929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).