2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid

C12H24N2O3 — CID 79256991

IUPAC2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid
SMILESCCCN(CC)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-6-8-13(7-2)11(17)14(9-10(15)16)12(3,4)5/h6-9H2,1-5H3,(H,15,16)
InChIKeyBDBNXBLVKZLVDH-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.02
Rot. Bonds5

About 2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid

2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid (PubChem CID 79256991) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid
PubChem CID79256991
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid
SMILESCCCN(CC)C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-6-8-13(7-2)11(17)14(9-10(15)16)12(3,4)5/h6-9H2,1-5H3,(H,15,16)
InChIKeyBDBNXBLVKZLVDH-UHFFFAOYSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[tert-butyl-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 61449870
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
3-[tert-butyl-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid
CID 79386010
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]-propylamino]acetic acid
CID 61186126
2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 79257428
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid
CID 79257345
2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide
CID 113166139
2-[tert-butyl-[3-(dimethylamino)propyl-methylcarbamoyl]amino]acetic acid
CID 79257355
2-[acetyl(propyl)amino]acetic acid
CID 23279438

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid (CID 79256991) is 2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid is CCCN(CC)C(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid?
The InChIKey is BDBNXBLVKZLVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-8-13(7-2)11(17)14(9-10(15)16)12(3,4)5/h6-9H2,1-5H3,(H,15,16).
What are the key properties of 2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid?
2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid has a molecular weight of 244.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[ethyl(propyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79256991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).