[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid

C7H13N3O3 — CID 146225835

IUPAC[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid
SMILESNC1CCN(C(=O)CNC(=O)O)C1
InChIInChI=1S/C7H13N3O3/c8-5-1-2-10(4-5)6(11)3-9-7(12)13/h5,9H,1-4,8H2,(H,12,13)
InChIKeyQKLJKMDHIHCBJK-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.19
Rot. Bonds2

About [2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid

[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid (PubChem CID 146225835) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is [2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid
PubChem CID146225835
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid
SMILESNC1CCN(C(=O)CNC(=O)O)C1
InChIInChI=1S/C7H13N3O3/c8-5-1-2-10(4-5)6(11)3-9-7(12)13/h5,9H,1-4,8H2,(H,12,13)
InChIKeyQKLJKMDHIHCBJK-UHFFFAOYSA-N
XLogP-1.19
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3S)-3-aminopyrrolidin-1-yl]-2-oxoethyl]carbamic acid
CID 135240082
1-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 119412871
benzyl N-[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamate;hydrochloride
CID 126843068
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
CID 166176480
3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 131176631
3-amino-1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 130609463
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide
CID 119378154
3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid
CID 62067755
1-[(3S)-3-aminopyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
CID 119934172
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
CID 119380136
1-(3-aminopyrrolidin-1-yl)-2-cyclopropylsulfanylethanone
CID 84669604

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid?
The IUPAC name of [2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid (CID 146225835) is [2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid is NC1CCN(C(=O)CNC(=O)O)C1.
What is the InChIKey of [2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid?
The InChIKey is QKLJKMDHIHCBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-5-1-2-10(4-5)6(11)3-9-7(12)13/h5,9H,1-4,8H2,(H,12,13).
What are the key properties of [2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid?
[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid has a molecular weight of 187.20 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 146225835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).