4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid

C14H20N2O3 — CID 64890331

IUPAC4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
SMILESCC(Cc1ccccc1)NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(9-11-5-3-2-4-6-11)16-14(19)12(15)7-8-13(17)18/h2-6,10,12H,7-9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyMRVQJYRNMVNPCB-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.93
Rot. Bonds7

About 4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid

4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid (PubChem CID 64890331) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
PubChem CID64890331
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
SMILESCC(Cc1ccccc1)NC(=O)C(N)CCC(=O)O
InChIInChI=1S/C14H20N2O3/c1-10(9-11-5-3-2-4-6-11)16-14(19)12(15)7-8-13(17)18/h2-6,10,12H,7-9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyMRVQJYRNMVNPCB-UHFFFAOYSA-N
XLogP0.93
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide;dihydrochloride
CID 76973395
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
4-amino-5-[[1-[(1-carboxy-2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
CID 18220387
(4S)-4-amino-5-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
CID 67702873
4-amino-5-[[1-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
CID 22697783
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]butanoic acid
CID 104984129
(2S)-2,6-diamino-N-(1-phenylpropan-2-yl)hexanamide;methanesulfonic acid
CID 169442795
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]pentanedioic acid
CID 22696857
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
4-amino-5-[[1-[[4-carboxy-1-[(1-carboxy-2-phenylethyl)amino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
CID 22697894
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid
CID 175735271

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid (CID 64890331) is 4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid is CC(Cc1ccccc1)NC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid?
The InChIKey is MRVQJYRNMVNPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(9-11-5-3-2-4-6-11)16-14(19)12(15)7-8-13(17)18/h2-6,10,12H,7-9,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid?
4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid is sourced from PubChem (CID 64890331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).