N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide

C8H15N3O3 — CID 106175617

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCC(O)C(N)=O)CC1
InChIInChI=1S/C8H15N3O3/c9-4-8(1-2-8)7(14)11-3-5(12)6(10)13/h5,12H,1-4,9H2,(H2,10,13)(H,11,14)
InChIKeyJNHPJPOIWZWMPE-UHFFFAOYSA-N
MW201.23 g/mol
LogP-2.31
Rot. Bonds5

About N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide (PubChem CID 106175617) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide
PubChem CID106175617
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCC(O)C(N)=O)CC1
InChIInChI=1S/C8H15N3O3/c9-4-8(1-2-8)7(14)11-3-5(12)6(10)13/h5,12H,1-4,9H2,(H2,10,13)(H,11,14)
InChIKeyJNHPJPOIWZWMPE-UHFFFAOYSA-N
XLogP-2.31
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-2.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide
CID 134814223
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
2-fluoro-N-[(2S)-2-hydroxypropyl]-1-methylcyclopropane-1-carboxamide
CID 131219527
N-(3-amino-2,2-dimethylpropyl)-2-hydroxypropanamide
CID 17990497
3-amino-N-cyclopropyl-2-hydroxy-3-methylbutanamide
CID 57562093
3-amino-N-cyclopropyl-2-hydroxypropanamide
CID 66792236
3-amino-N-cyclopropyl-2-hydroxybutanamide
CID 68246079
(2S)-N-cyclopropyl-2-hydroxy-3-methylbutanamide
CID 70311866
(3S)-3-amino-N-cyclopropyl-2-hydroxybutanamide
CID 89330979
(2R)-N-cyclopropyl-2-hydroxy-3-methylbutanamide
CID 89412042
N-(3-amino-2-hydroxy-3-oxopropyl)-3,3-dimethylbutanamide
CID 107260968

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide (CID 106175617) is N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide is NCC1(C(=O)NCC(O)C(N)=O)CC1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide?
The InChIKey is JNHPJPOIWZWMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c9-4-8(1-2-8)7(14)11-3-5(12)6(10)13/h5,12H,1-4,9H2,(H2,10,13)(H,11,14).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide has a molecular weight of 201.23 g/mol, XLogP of -2.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-1-(aminomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 106175617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).