2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide

C10H18N4O3 — CID 113288241

IUPAC2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C10H18N4O3/c11-7(5-8(12)15)10(17)14-4-3-13-9(16)6-1-2-6/h6-7H,1-5,11H2,(H2,12,15)(H,13,16)(H,14,17)
InChIKeyISIVBUNJZIXPDY-UHFFFAOYSA-N
MW242.28 g/mol
LogP-2.17
Rot. Bonds7

About 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide

2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide (PubChem CID 113288241) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
PubChem CID113288241
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C10H18N4O3/c11-7(5-8(12)15)10(17)14-4-3-13-9(16)6-1-2-6/h6-7H,1-5,11H2,(H2,12,15)(H,13,16)(H,14,17)
InChIKeyISIVBUNJZIXPDY-UHFFFAOYSA-N
XLogP-2.17
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide
CID 115733623
N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 119270340
2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide
CID 103827564
2-amino-N-(3-hydroxybutyl)butanediamide
CID 64912890
N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide
CID 107472733
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide
CID 63296967
4-amino-N-[2-(carbamoylamino)ethyl]cyclohexane-1-carboxamide
CID 81433162
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
CID 115575200
2-amino-N-(2,2-dihydroxyethyl)butanediamide
CID 154111575
N-[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]amino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 66952368
2-[(2,4-diamino-4-oxobutanoyl)amino]ethyl-methylcarbamic acid
CID 87306158

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide?
The IUPAC name of 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide (CID 113288241) is 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide.
What is the SMILES notation for 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide?
The canonical SMILES for 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide is NC(=O)CC(N)C(=O)NCCNC(=O)C1CC1.
What is the InChIKey of 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide?
The InChIKey is ISIVBUNJZIXPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c11-7(5-8(12)15)10(17)14-4-3-13-9(16)6-1-2-6/h6-7H,1-5,11H2,(H2,12,15)(H,13,16)(H,14,17).
What are the key properties of 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide?
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide has a molecular weight of 242.28 g/mol, XLogP of -2.17, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide is sourced from PubChem (CID 113288241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).