(1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride

C10H19ClN2O4 — CID 174567054

IUPAC(1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride
SMILESCCCC(N)C(O)C(=O)OC1(C(N)=O)CC1.Cl
InChIInChI=1S/C10H18N2O4.ClH/c1-2-3-6(11)7(13)8(14)16-10(4-5-10)9(12)15;/h6-7,13H,2-5,11H2,1H3,(H2,12,15);1H
InChIKeyVWGFMDDJNDQGNW-UHFFFAOYSA-N
MW266.72 g/mol
LogP-0.54
Rot. Bonds6

About (1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride

(1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride (PubChem CID 174567054) has the molecular formula C10H19ClN2O4 and a molecular weight of 266.72 g/mol. Its IUPAC name is (1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride.

Molecular Properties

Compound Name(1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride
PubChem CID174567054
Molecular FormulaC10H19ClN2O4
Molecular Weight266.72 g/mol
Exact Mass266.10
IUPAC Name(1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride
SMILESCCCC(N)C(O)C(=O)OC1(C(N)=O)CC1.Cl
InChIInChI=1S/C10H18N2O4.ClH/c1-2-3-6(11)7(13)8(14)16-10(4-5-10)9(12)15;/h6-7,13H,2-5,11H2,1H3,(H2,12,15);1H
InChIKeyVWGFMDDJNDQGNW-UHFFFAOYSA-N
XLogP-0.54
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride
CID 90189651
ethane;ethyl 3-amino-2-hydroxyhexanoate
CID 143089421
methyl (2S,3R)-3-amino-2-hydroxyhexanoate
CID 56605369
(2S,3S)-3-amino-2-hydroxyhexanoic acid
CID 11205843
(4S)-4-amino-3-hydroxyheptan-2-one
CID 58331979
(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride
CID 86762425
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
3-amino-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]hexanamide
CID 142118919
3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride
CID 139291083
(4R,5R)-octane-4,5-diamine
CID 13138963
2-[(1S)-1-aminobutyl]propanedioic acid
CID 118535919
acetyl fluoride;1-aminobutan-1-ol
CID 174904126

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride?
The IUPAC name of (1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride (CID 174567054) is (1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride.
What is the SMILES notation for (1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride?
The canonical SMILES for (1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride is CCCC(N)C(O)C(=O)OC1(C(N)=O)CC1.Cl.
What is the InChIKey of (1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride?
The InChIKey is VWGFMDDJNDQGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4.ClH/c1-2-3-6(11)7(13)8(14)16-10(4-5-10)9(12)15;/h6-7,13H,2-5,11H2,1H3,(H2,12,15);1H.
What are the key properties of (1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride?
(1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride has a molecular weight of 266.72 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride is sourced from PubChem (CID 174567054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).