(2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid

C14H23N3O2 — CID 87300907

IUPAC(2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid
SMILESCC(Cc1ccccc1)NC(N)CC[C@H](N)C(=O)O
InChIInChI=1S/C14H23N3O2/c1-10(9-11-5-3-2-4-6-11)17-13(16)8-7-12(15)14(18)19/h2-6,10,12-13,17H,7-9,15-16H2,1H3,(H,18,19)/t10?,12-,13?/m0/s1
InChIKeyFZDMGMIUJVJQOF-YDGIUTOCSA-N
MW265.36 g/mol
LogP0.68
Rot. Bonds8

About (2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid

(2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid (PubChem CID 87300907) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid
PubChem CID87300907
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid
SMILESCC(Cc1ccccc1)NC(N)CC[C@H](N)C(=O)O
InChIInChI=1S/C14H23N3O2/c1-10(9-11-5-3-2-4-6-11)17-13(16)8-7-12(15)14(18)19/h2-6,10,12-13,17H,7-9,15-16H2,1H3,(H,18,19)/t10?,12-,13?/m0/s1
InChIKeyFZDMGMIUJVJQOF-YDGIUTOCSA-N
XLogP0.68
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid;methanesulfonic acid
CID 87300906
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid
CID 79398614
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 158339063
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid?
The IUPAC name of (2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid (CID 87300907) is (2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid.
What is the SMILES notation for (2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid?
The canonical SMILES for (2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid is CC(Cc1ccccc1)NC(N)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid?
The InChIKey is FZDMGMIUJVJQOF-YDGIUTOCSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(9-11-5-3-2-4-6-11)17-13(16)8-7-12(15)14(18)19/h2-6,10,12-13,17H,7-9,15-16H2,1H3,(H,18,19)/t10?,12-,13?/m0/s1.
What are the key properties of (2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid?
(2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid has a molecular weight of 265.36 g/mol, XLogP of 0.68, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid is sourced from PubChem (CID 87300907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).