2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid

C14H20N2O3 — CID 61160864

IUPAC2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(2)16(9-14(18)19)13(17)8-12(15)11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3,(H,18,19)
InChIKeyUDQNMNNKVBBMGY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.40
Rot. Bonds6

About 2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid

2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid (PubChem CID 61160864) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
PubChem CID61160864
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(2)16(9-14(18)19)13(17)8-12(15)11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3,(H,18,19)
InChIKeyUDQNMNNKVBBMGY-UHFFFAOYSA-N
XLogP1.40
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
CID 119949409
2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid
CID 119198466
3-amino-N-(2-methoxyethyl)-3-phenyl-N-propan-2-ylpropanamide
CID 82949172
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
CID 60832237
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
3-amino-N-butan-2-yl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950260
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 119950245
3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900838
(3R)-3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900954
(1R)-1-amino-4-methyl-1-phenylpentan-3-one
CID 58688874

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid (CID 61160864) is 2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)CC(N)c1ccccc1.
What is the InChIKey of 2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid?
The InChIKey is UDQNMNNKVBBMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)16(9-14(18)19)13(17)8-12(15)11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid?
2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61160864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).