2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid

C7H14N2O3 — CID 66611497

IUPAC2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid
SMILESO=C(O)NCCN1CC[C@H](O)C1
InChIInChI=1S/C7H14N2O3/c10-6-1-3-9(5-6)4-2-8-7(11)12/h6,8,10H,1-5H2,(H,11,12)/t6-/m0/s1
InChIKeySVYKAGMJZXEUSH-LURJTMIESA-N
MW174.20 g/mol
LogP-0.68
Rot. Bonds3

About 2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid

2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid (PubChem CID 66611497) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid
PubChem CID66611497
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid
SMILESO=C(O)NCCN1CC[C@H](O)C1
InChIInChI=1S/C7H14N2O3/c10-6-1-3-9(5-6)4-2-8-7(11)12/h6,8,10H,1-5H2,(H,11,12)/t6-/m0/s1
InChIKeySVYKAGMJZXEUSH-LURJTMIESA-N
XLogP-0.68
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]acetamide
CID 167969156
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
3-chloro-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-2-methylidenepent-3-enamide
CID 123546278
(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
CID 94895891
(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol
CID 34177188
3-bromo-2,5-difluoro-N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]benzamide
CID 136586692
N-(2-hydroxyethyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62943585
N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide
CID 142245443
1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-3-[1-(4-methylbenzoyl)piperidin-4-yl]urea
CID 146137682
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
5-(3-hydroxypyrrolidin-1-yl)pentanehydrazide
CID 63572255

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid?
The IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid (CID 66611497) is 2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid?
The canonical SMILES for 2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid is O=C(O)NCCN1CC[C@H](O)C1.
What is the InChIKey of 2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid?
The InChIKey is SVYKAGMJZXEUSH-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O3/c10-6-1-3-9(5-6)4-2-8-7(11)12/h6,8,10H,1-5H2,(H,11,12)/t6-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid?
2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid has a molecular weight of 174.20 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypyrrolidin-1-yl]ethylcarbamic acid is sourced from PubChem (CID 66611497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).