(2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid

C15H23N3O5 — CID 175949178

IUPAC(2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid
SMILESNCCCC[C@H](NN[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)O
InChIInChI=1S/C15H23N3O5/c16-8-2-1-3-12(14(20)21)17-18-13(15(22)23)9-10-4-6-11(19)7-5-10/h4-7,12-13,17-19H,1-3,8-9,16H2,(H,20,21)(H,22,23)/t12-,13-/m0/s1
InChIKeyDOAUBDDNZWVSQR-STQMWFEESA-N
MW325.37 g/mol
LogP0.06
Rot. Bonds11

About (2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid

(2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid (PubChem CID 175949178) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid
PubChem CID175949178
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name(2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid
SMILESNCCCC[C@H](NN[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)O
InChIInChI=1S/C15H23N3O5/c16-8-2-1-3-12(14(20)21)17-18-13(15(22)23)9-10-4-6-11(19)7-5-10/h4-7,12-13,17-19H,1-3,8-9,16H2,(H,20,21)(H,22,23)/t12-,13-/m0/s1
InChIKeyDOAUBDDNZWVSQR-STQMWFEESA-N
XLogP0.06
TPSA144.91 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.37
LogP ≤ 50.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 154574215
6-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
CID 23195555
2-[[6-amino-2-[[6-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18259112
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
CID 175978813
2-[[2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid
CID 18307014
6-amino-2-[[6-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoic acid
CID 18744529
6-amino-2-[[6-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoic acid
CID 18253917
2-[[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]butanedioic acid
CID 18492056
2-(6-aminohexanoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 61156802
(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 11455650
6-amino-2-[[2-[[3-carboxy-2-(2,6-diaminohexanoylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
CID 18303870
6-amino-2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
CID 18743471

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid (CID 175949178) is (2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid is NCCCC[C@H](NN[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid?
The InChIKey is DOAUBDDNZWVSQR-STQMWFEESA-N. The full InChI is InChI=1S/C15H23N3O5/c16-8-2-1-3-12(14(20)21)17-18-13(15(22)23)9-10-4-6-11(19)7-5-10/h4-7,12-13,17-19H,1-3,8-9,16H2,(H,20,21)(H,22,23)/t12-,13-/m0/s1.
What are the key properties of (2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid?
(2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid has a molecular weight of 325.37 g/mol, XLogP of 0.06, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]hydrazinyl]hexanoic acid is sourced from PubChem (CID 175949178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).