1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid

C9H15N3O4 — CID 115451266

IUPAC1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)CCNC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C9H15N3O4/c10-6(13)1-4-11-8(16)12-5-9(2-3-9)7(14)15/h1-5H2,(H2,10,13)(H,14,15)(H2,11,12,16)
InChIKeyIUQFXEMLFWBUHJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.97
Rot. Bonds6

About 1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid

1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451266) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451266
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)CCNC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C9H15N3O4/c10-6(13)1-4-11-8(16)12-5-9(2-3-9)7(14)15/h1-5H2,(H2,10,13)(H,14,15)(H2,11,12,16)
InChIKeyIUQFXEMLFWBUHJ-UHFFFAOYSA-N
XLogP-0.97
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 113310291
1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 53397452
1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451265
1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106239344
4-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440480
1-[(4-methoxybutylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451502
1-[(5-methylhexylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312630
4-[(3-aminopropylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440501
1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106005250
1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide
CID 80588317
1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434091
1-[(2-butoxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312514

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid (CID 115451266) is 1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid is NC(=O)CCNC(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is IUQFXEMLFWBUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c10-6(13)1-4-11-8(16)12-5-9(2-3-9)7(14)15/h1-5H2,(H2,10,13)(H,14,15)(H2,11,12,16).
What are the key properties of 1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of -0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).