(2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one

C7H13NO3 — CID 101424794

IUPAC(2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one
SMILESN[C@H]1CCCC(=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H13NO3/c8-4-2-1-3-5(9)7(11)6(4)10/h4,6-7,10-11H,1-3,8H2/t4-,6+,7-/m0/s1
InChIKeyJCZCPJBMIUULPL-JHYUDYDFSA-N
MW159.18 g/mol
LogP-1.21
Rot. Bonds

About (2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one

(2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one (PubChem CID 101424794) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one.

Molecular Properties

Compound Name(2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one
PubChem CID101424794
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one
SMILESN[C@H]1CCCC(=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H13NO3/c8-4-2-1-3-5(9)7(11)6(4)10/h4,6-7,10-11H,1-3,8H2/t4-,6+,7-/m0/s1
InChIKeyJCZCPJBMIUULPL-JHYUDYDFSA-N
XLogP-1.21
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethenyl-2-hydroxycyclohexan-1-one
CID 130031065
cis-(2R,3S)-2,3-dihydroxycyclooctan-1-one
CID 102073717
2-oxocyclopentane-1-carbothioic S-acid
CID 19374959
(4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one
CID 7188299
(4S)-4-amino-3-hydroxyazepan-2-one
CID 130420309
cis-(2S,3S)-2,3-dibromocyclohexan-1-one
CID 11780109
2-hydroxycycloundecan-1-one
CID 12608300
2-hydroxycyclotetracosan-1-one
CID 13429421
(4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexan-1-one
CID 89030305
(4aR,4bR,8aS,8bS)-2,3,4,4a,4b,5,6,7,8a,8b-decahydrobiphenylene-1,8-dione
CID 98159453
(4aS,4bS,8aR,8bR)-2,3,4,4a,4b,5,6,7,8a,8b-decahydrobiphenylene-1,8-dione
CID 100937087
2-amino-3-ethenylcyclohexan-1-one
CID 67266510

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one?
The IUPAC name of (2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one (CID 101424794) is (2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one.
What is the SMILES notation for (2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one?
The canonical SMILES for (2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one is N[C@H]1CCCC(=O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one?
The InChIKey is JCZCPJBMIUULPL-JHYUDYDFSA-N. The full InChI is InChI=1S/C7H13NO3/c8-4-2-1-3-5(9)7(11)6(4)10/h4,6-7,10-11H,1-3,8H2/t4-,6+,7-/m0/s1.
What are the key properties of (2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one?
(2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one has a molecular weight of 159.18 g/mol, XLogP of -1.21, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-amino-2,3-dihydroxycycloheptan-1-one is sourced from PubChem (CID 101424794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).