2-(ethylcarbamoylamino)propanamide

C6H13N3O2 — CID 115582785

IUPAC2-(ethylcarbamoylamino)propanamide
SMILESCCNC(=O)NC(C)C(N)=O
InChIInChI=1S/C6H13N3O2/c1-3-8-6(11)9-4(2)5(7)10/h4H,3H2,1-2H3,(H2,7,10)(H2,8,9,11)
InChIKeyODXSNAWEBXKTAB-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.82
Rot. Bonds3

About 2-(ethylcarbamoylamino)propanamide

2-(ethylcarbamoylamino)propanamide (PubChem CID 115582785) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)propanamide.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)propanamide
PubChem CID115582785
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name2-(ethylcarbamoylamino)propanamide
SMILESCCNC(=O)NC(C)C(N)=O
InChIInChI=1S/C6H13N3O2/c1-3-8-6(11)9-4(2)5(7)10/h4H,3H2,1-2H3,(H2,7,10)(H2,8,9,11)
InChIKeyODXSNAWEBXKTAB-UHFFFAOYSA-N
XLogP-0.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(ethylcarbamoylamino)propanoate
CID 60980356
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757084
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
1-ethyl-3-(1-fluoropropan-2-yl)urea
CID 126991916
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753
N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
CID 54110104
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
[(2R)-1-amino-1-oxopropan-2-yl]carbamic acid
CID 66814352
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81085433
1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea
CID 158499294

Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)propanamide?
The IUPAC name of 2-(ethylcarbamoylamino)propanamide (CID 115582785) is 2-(ethylcarbamoylamino)propanamide.
What is the SMILES notation for 2-(ethylcarbamoylamino)propanamide?
The canonical SMILES for 2-(ethylcarbamoylamino)propanamide is CCNC(=O)NC(C)C(N)=O.
What is the InChIKey of 2-(ethylcarbamoylamino)propanamide?
The InChIKey is ODXSNAWEBXKTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-3-8-6(11)9-4(2)5(7)10/h4H,3H2,1-2H3,(H2,7,10)(H2,8,9,11).
What are the key properties of 2-(ethylcarbamoylamino)propanamide?
2-(ethylcarbamoylamino)propanamide has a molecular weight of 159.19 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)propanamide is sourced from PubChem (CID 115582785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).