2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid

C14H19N3O4 — CID 62306268

IUPAC2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid
SMILESCCC(NC(=O)NCC(=O)NCC(=O)O)c1ccccc1
InChIInChI=1S/C14H19N3O4/c1-2-11(10-6-4-3-5-7-10)17-14(21)16-8-12(18)15-9-13(19)20/h3-7,11H,2,8-9H2,1H3,(H,15,18)(H,19,20)(H2,16,17,21)
InChIKeyFFJBSBXTMCRJGU-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.64
Rot. Bonds7

About 2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 62306268) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID62306268
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid
SMILESCCC(NC(=O)NCC(=O)NCC(=O)O)c1ccccc1
InChIInChI=1S/C14H19N3O4/c1-2-11(10-6-4-3-5-7-10)17-14(21)16-8-12(18)15-9-13(19)20/h3-7,11H,2,8-9H2,1H3,(H,15,18)(H,19,20)(H2,16,17,21)
InChIKeyFFJBSBXTMCRJGU-UHFFFAOYSA-N
XLogP0.64
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzhydrylcarbamoylamino)acetic acid
CID 43445708
(2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
CID 61203429
(2S,3S)-3-methyl-2-(1-phenylpropylcarbamoylamino)pentanoic acid
CID 62304220
2-methyl-N-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]benzamide
CID 95763013
2-[[2-[[2-[(2-benzhydrylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 10693882
N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 41490453
N-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 17450177
4-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-phenylbutanoic acid
CID 119201409
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658
N'-[(1R)-2-methyl-1-phenylpropyl]-N-[(1R)-1-phenylpropyl]oxamide
CID 124846210
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid (CID 62306268) is 2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid is CCC(NC(=O)NCC(=O)NCC(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is FFJBSBXTMCRJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-11(10-6-4-3-5-7-10)17-14(21)16-8-12(18)15-9-13(19)20/h3-7,11H,2,8-9H2,1H3,(H,15,18)(H,19,20)(H2,16,17,21).
What are the key properties of 2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 0.64, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-phenylpropylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 62306268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).