(2R)-7-amino-2-(sulfanylmethyl)heptanoic acid

C8H17NO2S — CID 71737799

IUPAC(2R)-7-amino-2-(sulfanylmethyl)heptanoic acid
SMILESNCCCCC[C@@H](CS)C(=O)O
InChIInChI=1S/C8H17NO2S/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)/t7-/m0/s1
InChIKeyOWVFNXQLXNWAHW-ZETCQYMHSA-N
MW191.30 g/mol
LogP1.14
Rot. Bonds7

About (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid

(2R)-7-amino-2-(sulfanylmethyl)heptanoic acid (PubChem CID 71737799) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid.

Molecular Properties

Compound Name(2R)-7-amino-2-(sulfanylmethyl)heptanoic acid
PubChem CID71737799
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(2R)-7-amino-2-(sulfanylmethyl)heptanoic acid
SMILESNCCCCC[C@@H](CS)C(=O)O
InChIInChI=1S/C8H17NO2S/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)/t7-/m0/s1
InChIKeyOWVFNXQLXNWAHW-ZETCQYMHSA-N
XLogP1.14
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,8-bis(sulfanylmethyl)nonanedioic acid
CID 141431047
6-amino-2-(2-hydroxyethyl)hexanoic acid
CID 104681384
7-amino-2-[[(7-amino-2-carboxyheptyl)diselanyl]methyl]heptanoic acid;dihydrochloride
CID 66563347
6-amino-2-ethylhexanoic acid;azane
CID 88821488
2-(11-aminoundecyl)propanedioic acid
CID 87187189
2-(7-aminoheptyl)propanedioic acid
CID 90276909
(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid
CID 87256813
2-(acetylsulfanylmethyl)-7-aminoheptanoic acid
CID 71451544
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
2,13-diaminotridecanoic acid
CID 141414897
(2R)-7-amino-2-hydroxyheptanoic acid
CID 144842569
6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]hexanoic acid
CID 116628344

Frequently Asked Questions

What is the IUPAC name of (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid?
The IUPAC name of (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid (CID 71737799) is (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid.
What is the SMILES notation for (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid?
The canonical SMILES for (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid is NCCCCC[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid?
The InChIKey is OWVFNXQLXNWAHW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO2S/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)/t7-/m0/s1.
What are the key properties of (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid?
(2R)-7-amino-2-(sulfanylmethyl)heptanoic acid has a molecular weight of 191.30 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid is sourced from PubChem (CID 71737799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).