1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide

C8H16N2O3 — CID 115453464

IUPAC1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCC(O)CO)CC1
InChIInChI=1S/C8H16N2O3/c9-5-8(1-2-8)7(13)10-3-6(12)4-11/h6,11-12H,1-5,9H2,(H,10,13)
InChIKeyNVMSENXZNIUPOB-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.81
Rot. Bonds5

About 1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide (PubChem CID 115453464) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide
PubChem CID115453464
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCC(O)CO)CC1
InChIInChI=1S/C8H16N2O3/c9-5-8(1-2-8)7(13)10-3-6(12)4-11/h6,11-12H,1-5,9H2,(H,10,13)
InChIKeyNVMSENXZNIUPOB-UHFFFAOYSA-N
XLogP-1.81
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide
CID 105646070
1-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)cyclopropane-1-carboxamide
CID 105646357
3-(2,3-Dihydroxypropylamino)-3-methylbutanamide
CID 19101545
N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 58679304
N-(2,3-dihydroxypropyl)-2,3-dimethylbutanamide
CID 66175152
N-(2,3-dihydroxypropyl)cyclopropanecarboxamide
CID 66175405
N-(2,3-dihydroxypropyl)-2,2-dimethylbutanamide
CID 66176042
N-(2,3-dihydroxypropyl)-3,3-dimethylbutanamide
CID 66176636
N-(2,3-dihydroxypropyl)-2-methylbutanamide
CID 66177301
N-[(2S)-2,3-dihydroxypropyl]-2-methylbutanamide
CID 88869991
N-(2,3-dihydroxypropyl)-2,3,3-trimethylbutanamide
CID 88976345
(2S)-N-[(2S)-2,3-dihydroxypropyl]-2,3,3-trimethylbutanamide
CID 89289805

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide (CID 115453464) is 1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide is NCC1(C(=O)NCC(O)CO)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide?
The InChIKey is NVMSENXZNIUPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c9-5-8(1-2-8)7(13)10-3-6(12)4-11/h6,11-12H,1-5,9H2,(H,10,13).
What are the key properties of 1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide has a molecular weight of 188.23 g/mol, XLogP of -1.81, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115453464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).