2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid

C16H20N2O4 — CID 119194773

IUPAC2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CCNC(=O)Cc1ccccc1)C1CC1
InChIInChI=1S/C16H20N2O4/c19-14(10-12-4-2-1-3-5-12)17-9-8-15(20)18(11-16(21)22)13-6-7-13/h1-5,13H,6-11H2,(H,17,19)(H,21,22)
InChIKeyDDWMREGTAZLQKV-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.81
Rot. Bonds8

About 2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid

2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid (PubChem CID 119194773) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid
PubChem CID119194773
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CCNC(=O)Cc1ccccc1)C1CC1
InChIInChI=1S/C16H20N2O4/c19-14(10-12-4-2-1-3-5-12)17-9-8-15(20)18(11-16(21)22)13-6-7-13/h1-5,13H,6-11H2,(H,17,19)(H,21,22)
InChIKeyDDWMREGTAZLQKV-UHFFFAOYSA-N
XLogP0.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
CID 54945801
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
2-[3-(naphthalene-2-carbonylamino)propanoyl-(oxan-4-yl)amino]acetic acid
CID 75429098
N-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 136578286
2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid
CID 120517535
2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid
CID 119194508
N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
2-[3-(tert-butylamino)propanoyl-cyclopropylamino]acetic acid
CID 61160915
N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide
CID 814043
2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid
CID 119194779

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid (CID 119194773) is 2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid is O=C(O)CN(C(=O)CCNC(=O)Cc1ccccc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid?
The InChIKey is DDWMREGTAZLQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-14(10-12-4-2-1-3-5-12)17-9-8-15(20)18(11-16(21)22)13-6-7-13/h1-5,13H,6-11H2,(H,17,19)(H,21,22).
What are the key properties of 2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid?
2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid has a molecular weight of 304.35 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid is sourced from PubChem (CID 119194773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).