2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide

C9H18N4O3 — CID 174356714

IUPAC2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide
SMILESCC(C)NCC(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C9H18N4O3/c1-6(2)11-4-8(15)13-5-9(16)12-3-7(10)14/h6,11H,3-5H2,1-2H3,(H2,10,14)(H,12,16)(H,13,15)
InChIKeyNTONVCAQQWNMIZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP-2.30
Rot. Bonds7

About 2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide

2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide (PubChem CID 174356714) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide
PubChem CID174356714
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide
SMILESCC(C)NCC(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C9H18N4O3/c1-6(2)11-4-8(15)13-5-9(16)12-3-7(10)14/h6,11H,3-5H2,1-2H3,(H2,10,14)(H,12,16)(H,13,15)
InChIKeyNTONVCAQQWNMIZ-UHFFFAOYSA-N
XLogP-2.30
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-2.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]amino]ethyl]-2-(propan-2-ylamino)acetamide
CID 163498678
2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide
CID 168915407
ethane;2-[[2-(methylamino)acetyl]amino]acetamide
CID 168928174
N-(3-methyl-2-propan-2-ylbutyl)-2-(propan-2-ylamino)acetamide
CID 102905922
(2S)-2-acetamido-N-[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 11130860
(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide
CID 71358548
N-[2-(diethylamino)ethyl]-2-(propan-2-ylamino)acetamide
CID 60843052
4-amino-4-oxo-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61158475
5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966422
2-[[2-(benzhydrylamino)acetyl]amino]acetamide
CID 8596592
N-[4-(aminooxyamino)butyl]-2-(propan-2-ylamino)acetamide
CID 171804657
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide (CID 174356714) is 2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide is CC(C)NCC(=O)NCC(=O)NCC(N)=O.
What is the InChIKey of 2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide?
The InChIKey is NTONVCAQQWNMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-6(2)11-4-8(15)13-5-9(16)12-3-7(10)14/h6,11H,3-5H2,1-2H3,(H2,10,14)(H,12,16)(H,13,15).
What are the key properties of 2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide?
2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide has a molecular weight of 230.27 g/mol, XLogP of -2.30, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide is sourced from PubChem (CID 174356714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).