N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide

C10H20N4O3 — CID 141056869

IUPACN-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide
SMILESCC(C)(C)NC(=O)NCCC(=O)NCC(N)=O
InChIInChI=1S/C10H20N4O3/c1-10(2,3)14-9(17)12-5-4-8(16)13-6-7(11)15/h4-6H2,1-3H3,(H2,11,15)(H,13,16)(H2,12,14,17)
InChIKeyPUBQQRAFRIXXAP-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.92
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide

N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide (PubChem CID 141056869) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide
PubChem CID141056869
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC NameN-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide
SMILESCC(C)(C)NC(=O)NCCC(=O)NCC(N)=O
InChIInChI=1S/C10H20N4O3/c1-10(2,3)14-9(17)12-5-4-8(16)13-6-7(11)15/h4-6H2,1-3H3,(H2,11,15)(H,13,16)(H2,12,14,17)
InChIKeyPUBQQRAFRIXXAP-UHFFFAOYSA-N
XLogP-0.92
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-[4-(carbamoylamino)butyl]urea
CID 129172648
2-(tert-butylcarbamoylamino)ethyl carbamate
CID 116657528
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395
4-(tert-butylcarbamoylamino)butanoic acid
CID 2185486
3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949739
N-(2-amino-2-oxoethyl)pentanamide
CID 12878232
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 106097819
1-tert-butyl-3-(3-chloropropyl)urea
CID 108896882
N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide
CID 60668278
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095
2-[(2-chloroacetyl)amino]acetamide
CID 28605345

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide (CID 141056869) is N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide is CC(C)(C)NC(=O)NCCC(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide?
The InChIKey is PUBQQRAFRIXXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-10(2,3)14-9(17)12-5-4-8(16)13-6-7(11)15/h4-6H2,1-3H3,(H2,11,15)(H,13,16)(H2,12,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide?
N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide has a molecular weight of 244.29 g/mol, XLogP of -0.92, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide is sourced from PubChem (CID 141056869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).