2-[3-(tert-butylamino)propanoylamino]ethyl carbamate

C10H21N3O3 — CID 83209424

IUPAC2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
SMILESCC(C)(C)NCCC(=O)NCCOC(N)=O
InChIInChI=1S/C10H21N3O3/c1-10(2,3)13-5-4-8(14)12-6-7-16-9(11)15/h13H,4-7H2,1-3H3,(H2,11,15)(H,12,14)
InChIKeyFLVSNQMDRZGKGT-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.02
Rot. Bonds6

About 2-[3-(tert-butylamino)propanoylamino]ethyl carbamate

2-[3-(tert-butylamino)propanoylamino]ethyl carbamate (PubChem CID 83209424) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)propanoylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
PubChem CID83209424
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
SMILESCC(C)(C)NCCC(=O)NCCOC(N)=O
InChIInChI=1S/C10H21N3O3/c1-10(2,3)13-5-4-8(14)12-6-7-16-9(11)15/h13H,4-7H2,1-3H3,(H2,11,15)(H,12,14)
InChIKeyFLVSNQMDRZGKGT-UHFFFAOYSA-N
XLogP-0.02
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylcarbamoylamino)ethyl carbamate
CID 116657528
2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
CID 83210184
5-(tert-butylamino)pentyl carbamate;hydrochloride
CID 117067988
2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
CID 83210908
N-[2-[2-[2-(tert-butylamino)ethoxy]propan-2-yloxy]ethyl]-3-(ethylamino)propanamide
CID 134266528
tert-butyl N-(2-carbamoyloxyethyl)carbamate
CID 83215599
3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 60850956
2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate
CID 83210194
2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate
CID 114329061
3-(tert-butylamino)-N-(4-methylpentyl)propanamide
CID 61044511
2-[[2-(ethylamino)acetyl]amino]ethyl carbamate
CID 83211277
4-(2-carbamoyloxyethylcarbamoylamino)-4-methylpentanoic acid
CID 83204394

Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)propanoylamino]ethyl carbamate?
The IUPAC name of 2-[3-(tert-butylamino)propanoylamino]ethyl carbamate (CID 83209424) is 2-[3-(tert-butylamino)propanoylamino]ethyl carbamate.
What is the SMILES notation for 2-[3-(tert-butylamino)propanoylamino]ethyl carbamate?
The canonical SMILES for 2-[3-(tert-butylamino)propanoylamino]ethyl carbamate is CC(C)(C)NCCC(=O)NCCOC(N)=O.
What is the InChIKey of 2-[3-(tert-butylamino)propanoylamino]ethyl carbamate?
The InChIKey is FLVSNQMDRZGKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-10(2,3)13-5-4-8(14)12-6-7-16-9(11)15/h13H,4-7H2,1-3H3,(H2,11,15)(H,12,14).
What are the key properties of 2-[3-(tert-butylamino)propanoylamino]ethyl carbamate?
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate has a molecular weight of 231.30 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)propanoylamino]ethyl carbamate is sourced from PubChem (CID 83209424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).