ethyl 2-(pyrrolidin-3-ylamino)propanoate

C9H18N2O2 — CID 79741945

IUPACethyl 2-(pyrrolidin-3-ylamino)propanoate
SMILESCCOC(=O)C(C)NC1CCNC1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)7(2)11-8-4-5-10-6-8/h7-8,10-11H,3-6H2,1-2H3
InChIKeyKHYVUUUMNKTVTB-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.11
Rot. Bonds4

About ethyl 2-(pyrrolidin-3-ylamino)propanoate

ethyl 2-(pyrrolidin-3-ylamino)propanoate (PubChem CID 79741945) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2-(pyrrolidin-3-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(pyrrolidin-3-ylamino)propanoate
PubChem CID79741945
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl 2-(pyrrolidin-3-ylamino)propanoate
SMILESCCOC(=O)C(C)NC1CCNC1
InChIInChI=1S/C9H18N2O2/c1-3-13-9(12)7(2)11-8-4-5-10-6-8/h7-8,10-11H,3-6H2,1-2H3
InChIKeyKHYVUUUMNKTVTB-UHFFFAOYSA-N
XLogP-0.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(pyrrolidin-3-ylamino)propanoate
CID 19853358
2-(pyrrolidin-3-ylamino)propanoic acid
CID 66810239
ethyl N-pyrrolidin-3-ylcarbamate
CID 11321104
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride
CID 118918439
1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 115880387
N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide
CID 115880385
1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 79730724
ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate
CID 63903144
methyl (2S)-2-(azepan-4-ylamino)propanoate
CID 103981308
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate
CID 61498288

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyrrolidin-3-ylamino)propanoate?
The IUPAC name of ethyl 2-(pyrrolidin-3-ylamino)propanoate (CID 79741945) is ethyl 2-(pyrrolidin-3-ylamino)propanoate.
What is the SMILES notation for ethyl 2-(pyrrolidin-3-ylamino)propanoate?
The canonical SMILES for ethyl 2-(pyrrolidin-3-ylamino)propanoate is CCOC(=O)C(C)NC1CCNC1.
What is the InChIKey of ethyl 2-(pyrrolidin-3-ylamino)propanoate?
The InChIKey is KHYVUUUMNKTVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-13-9(12)7(2)11-8-4-5-10-6-8/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(pyrrolidin-3-ylamino)propanoate?
ethyl 2-(pyrrolidin-3-ylamino)propanoate has a molecular weight of 186.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyrrolidin-3-ylamino)propanoate is sourced from PubChem (CID 79741945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).