(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid

C9H21N3O4S — CID 87256813

IUPAC(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid
SMILESNCCCC[C@H](N)C(=O)O.N[C@@H](CS)C(=O)O
InChIInChI=1S/C6H14N2O2.C3H7NO2S/c7-4-2-1-3-5(8)6(9)10;4-2(1-7)3(5)6/h5H,1-4,7-8H2,(H,9,10);2,7H,1,4H2,(H,5,6)/t5-;2-/m00/s1
InChIKeyDZJDKHJKZNIGJX-KNIFDHDWSA-N
MW267.35 g/mol
LogP-1.14
Rot. Bonds7

About (2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid

(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid (PubChem CID 87256813) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is (2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid
PubChem CID87256813
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Name(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid
SMILESNCCCC[C@H](N)C(=O)O.N[C@@H](CS)C(=O)O
InChIInChI=1S/C6H14N2O2.C3H7NO2S/c7-4-2-1-3-5(8)6(9)10;4-2(1-7)3(5)6/h5H,1-4,7-8H2,(H,9,10);2,7H,1,4H2,(H,5,6)/t5-;2-/m00/s1
InChIKeyDZJDKHJKZNIGJX-KNIFDHDWSA-N
XLogP-1.14
TPSA152.66 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.35
LogP ≤ 5-1.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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

2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
CID 158432126
CID 158432126
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid?
The IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid (CID 87256813) is (2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid.
What is the SMILES notation for (2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid?
The canonical SMILES for (2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid is NCCCC[C@H](N)C(=O)O.N[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid?
The InChIKey is DZJDKHJKZNIGJX-KNIFDHDWSA-N. The full InChI is InChI=1S/C6H14N2O2.C3H7NO2S/c7-4-2-1-3-5(8)6(9)10;4-2(1-7)3(5)6/h5H,1-4,7-8H2,(H,9,10);2,7H,1,4H2,(H,5,6)/t5-;2-/m00/s1.
What are the key properties of (2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid?
(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid has a molecular weight of 267.35 g/mol, XLogP of -1.14, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid is sourced from PubChem (CID 87256813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).