N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide

C10H17N3O2 — CID 175793474

IUPACN-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(N[C@H]1CNC[C@@H]1O)N1CC2CC2C1
InChIInChI=1S/C10H17N3O2/c14-9-3-11-2-8(9)12-10(15)13-4-6-1-7(6)5-13/h6-9,11,14H,1-5H2,(H,12,15)/t6?,7?,8-,9-/m0/s1
InChIKeyFDNZRDPAYUNGQX-PEBLOWIWSA-N
MW211.26 g/mol
LogP-1.02
Rot. Bonds1

About N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide

N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 175793474) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID175793474
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(N[C@H]1CNC[C@@H]1O)N1CC2CC2C1
InChIInChI=1S/C10H17N3O2/c14-9-3-11-2-8(9)12-10(15)13-4-6-1-7(6)5-13/h6-9,11,14H,1-5H2,(H,12,15)/t6?,7?,8-,9-/m0/s1
InChIKeyFDNZRDPAYUNGQX-PEBLOWIWSA-N
XLogP-1.02
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide (CID 175793474) is N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(N[C@H]1CNC[C@@H]1O)N1CC2CC2C1.
What is the InChIKey of N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is FDNZRDPAYUNGQX-PEBLOWIWSA-N. The full InChI is InChI=1S/C10H17N3O2/c14-9-3-11-2-8(9)12-10(15)13-4-6-1-7(6)5-13/h6-9,11,14H,1-5H2,(H,12,15)/t6?,7?,8-,9-/m0/s1.
What are the key properties of N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 211.26 g/mol, XLogP of -1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 175793474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).