[(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid

C9H14N2O3 — CID 138684856

IUPAC[(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CC(=O)N[C@@H]1CC1CC1
InChIInChI=1S/C9H14N2O3/c12-8-4-7(11-9(13)14)6(10-8)3-5-1-2-5/h5-7,11H,1-4H2,(H,10,12)(H,13,14)/t6-,7-/m1/s1
InChIKeyODFGUGIWSOZHHI-RNFRBKRXSA-N
MW198.22 g/mol
LogP0.31
Rot. Bonds3

About [(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid

[(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid (PubChem CID 138684856) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is [(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid
PubChem CID138684856
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name[(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CC(=O)N[C@@H]1CC1CC1
InChIInChI=1S/C9H14N2O3/c12-8-4-7(11-9(13)14)6(10-8)3-5-1-2-5/h5-7,11H,1-4H2,(H,10,12)(H,13,14)/t6-,7-/m1/s1
InChIKeyODFGUGIWSOZHHI-RNFRBKRXSA-N
XLogP0.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid
CID 138684888
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-[[2-[(2R,3S)-3-acetamido-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetyl]amino]-5-oxopyrrolidin-2-yl]acetamide
CID 71534794
[(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid
CID 90426122
methane;(2S)-4-oxoazetidine-2-carboxylic acid
CID 143306499
4-oxoazetidine-2-carboxylic acid;hydrochloride
CID 162462480
[2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid
CID 155225011
[2-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamic acid
CID 138684995
2-[(2S)-4-oxoazetidin-2-yl]acetic acid
CID 12795461
5-(2-hydroxyethyl)-4-(1-phenylethylamino)pyrrolidin-2-one
CID 20645484
[4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid
CID 70827651
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid (CID 138684856) is [(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CC(=O)N[C@@H]1CC1CC1.
What is the InChIKey of [(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid?
The InChIKey is ODFGUGIWSOZHHI-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-8-4-7(11-9(13)14)6(10-8)3-5-1-2-5/h5-7,11H,1-4H2,(H,10,12)(H,13,14)/t6-,7-/m1/s1.
What are the key properties of [(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid?
[(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid has a molecular weight of 198.22 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 138684856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).