(2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid

C23H23N3O4 — CID 40571772

IUPAC(2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid
SMILESC[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C23H23N3O4/c1-15(21(27)25-20(22(28)29)14-16-8-3-2-4-9-16)24-23(30)26-19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15,20H,14H2,1H3,(H,25,27)(H,28,29)(H2,24,26,30)/t15-,20-/m1/s1
InChIKeyJYEBKNONUNVENG-FOIQADDNSA-N
MW405.45 g/mol
LogP3.16
Rot. Bonds7

About (2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid

(2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid (PubChem CID 40571772) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid
PubChem CID40571772
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name(2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid
SMILESC[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C23H23N3O4/c1-15(21(27)25-20(22(28)29)14-16-8-3-2-4-9-16)24-23(30)26-19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15,20H,14H2,1H3,(H,25,27)(H,28,29)(H2,24,26,30)/t15-,20-/m1/s1
InChIKeyJYEBKNONUNVENG-FOIQADDNSA-N
XLogP3.16
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 52506002
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
3-phenyl-2-[[(2R)-2-[(2-phenylacetyl)amino]propanoyl]amino]propanoic acid
CID 100996436
(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
CID 52506751
(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
CID 95559600
(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107823831
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-phenylpropanoic acid
CID 6992494
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate
CID 40634959
(2S)-3-phenyl-2-[[(2S)-2-(phenylcarbamoylamino)propanoyl]amino]propanamide
CID 102092289
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103
1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid (CID 40571772) is (2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid is C[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid?
The InChIKey is JYEBKNONUNVENG-FOIQADDNSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-15(21(27)25-20(22(28)29)14-16-8-3-2-4-9-16)24-23(30)26-19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15,20H,14H2,1H3,(H,25,27)(H,28,29)(H2,24,26,30)/t15-,20-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid has a molecular weight of 405.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 40571772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).