(2-cyclopropylpropanoylamino)urea

C7H13N3O2 — CID 83150747

IUPAC(2-cyclopropylpropanoylamino)urea
SMILESCC(C(=O)NNC(N)=O)C1CC1
InChIInChI=1S/C7H13N3O2/c1-4(5-2-3-5)6(11)9-10-7(8)12/h4-5H,2-3H2,1H3,(H,9,11)(H3,8,10,12)
InChIKeyJTLALUITJBWGDY-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.27
Rot. Bonds2

About (2-cyclopropylpropanoylamino)urea

(2-cyclopropylpropanoylamino)urea (PubChem CID 83150747) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2-cyclopropylpropanoylamino)urea.

Molecular Properties

Compound Name(2-cyclopropylpropanoylamino)urea
PubChem CID83150747
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(2-cyclopropylpropanoylamino)urea
SMILESCC(C(=O)NNC(N)=O)C1CC1
InChIInChI=1S/C7H13N3O2/c1-4(5-2-3-5)6(11)9-10-7(8)12/h4-5H,2-3H2,1H3,(H,9,11)(H3,8,10,12)
InChIKeyJTLALUITJBWGDY-UHFFFAOYSA-N
XLogP-0.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-2-cyclopropylpropanamide
CID 79505889
3-(2-cyclopropylpropanoylamino)-2-hydroxypropanamide
CID 106164214
(2-methylpropanoylamino)urea
CID 60704517
N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide
CID 83155195
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide
CID 83154806
2-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82760561
1-chloro-3-cyclopropylbutan-2-one
CID 83152122
2-(2-cyclopropylpropanoylamino)propanoic acid
CID 81456146
N-(2-amino-3-hydroxybutyl)-2-cyclopropylpropanamide
CID 83148940
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylpropanamide
CID 81479173
N-(2-bromoethyl)-2-cyclopropylpropanamide
CID 83154146
2-(4-methylcyclohexyl)propanamide
CID 175989942

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpropanoylamino)urea?
The IUPAC name of (2-cyclopropylpropanoylamino)urea (CID 83150747) is (2-cyclopropylpropanoylamino)urea.
What is the SMILES notation for (2-cyclopropylpropanoylamino)urea?
The canonical SMILES for (2-cyclopropylpropanoylamino)urea is CC(C(=O)NNC(N)=O)C1CC1.
What is the InChIKey of (2-cyclopropylpropanoylamino)urea?
The InChIKey is JTLALUITJBWGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-4(5-2-3-5)6(11)9-10-7(8)12/h4-5H,2-3H2,1H3,(H,9,11)(H3,8,10,12).
What are the key properties of (2-cyclopropylpropanoylamino)urea?
(2-cyclopropylpropanoylamino)urea has a molecular weight of 171.20 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpropanoylamino)urea is sourced from PubChem (CID 83150747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).