2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide

C10H22N4O2 — CID 63761726

IUPAC2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide
SMILESCCC(CC)N(CCN)CC(=O)NC(N)=O
InChIInChI=1S/C10H22N4O2/c1-3-8(4-2)14(6-5-11)7-9(15)13-10(12)16/h8H,3-7,11H2,1-2H3,(H3,12,13,15,16)
InChIKeyDMHAIECXGVWUSD-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.37
Rot. Bonds7

About 2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide

2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide (PubChem CID 63761726) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide
PubChem CID63761726
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide
SMILESCCC(CC)N(CCN)CC(=O)NC(N)=O
InChIInChI=1S/C10H22N4O2/c1-3-8(4-2)14(6-5-11)7-9(15)13-10(12)16/h8H,3-7,11H2,1-2H3,(H3,12,13,15,16)
InChIKeyDMHAIECXGVWUSD-UHFFFAOYSA-N
XLogP-0.37
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-3-[1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea
CID 44613717
N,N-dimethyl-4-[2-oxo-2-(pentan-3-ylamino)ethyl]piperazine-1-carboxamide
CID 45815835
N-(propan-2-ylcarbamoyl)-2-pyrrolidin-1-ylacetamide
CID 2466298
2-[cyclohexyl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide
CID 17451459
N-carbamoyl-2-(propan-2-ylamino)acetamide
CID 28119707
N-carbamoyl-2-[methyl(4-methylpentan-2-yl)amino]acetamide
CID 45810949
N-carbamoyl-2-[cyclopentyl(methyl)amino]acetamide
CID 51111135
N-carbamoyl-2-(2,4-dimethylpiperazin-1-yl)acetamide
CID 71877503
2-(propan-2-ylamino)-N-(propan-2-ylcarbamoyl)acetamide
CID 8107569
2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide
CID 86909099
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide
CID 107494446
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide
CID 107494561

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide?
The IUPAC name of 2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide (CID 63761726) is 2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide.
What is the SMILES notation for 2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide?
The canonical SMILES for 2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide is CCC(CC)N(CCN)CC(=O)NC(N)=O.
What is the InChIKey of 2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide?
The InChIKey is DMHAIECXGVWUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-3-8(4-2)14(6-5-11)7-9(15)13-10(12)16/h8H,3-7,11H2,1-2H3,(H3,12,13,15,16).
What are the key properties of 2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide?
2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide has a molecular weight of 230.31 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(pentan-3-yl)amino]-N-carbamoylacetamide is sourced from PubChem (CID 63761726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).