2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid

C12H24N2O3 — CID 62198612

IUPAC2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
SMILESCCCCC(C)NC(=O)N(CCC)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-6-7-10(3)13-12(17)14(8-5-2)9-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyDNLCGRNDPBMKDC-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.07
Rot. Bonds8

About 2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid

2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid (PubChem CID 62198612) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
PubChem CID62198612
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
SMILESCCCCC(C)NC(=O)N(CCC)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-6-7-10(3)13-12(17)14(8-5-2)9-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyDNLCGRNDPBMKDC-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[pentan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 61182212
2-[but-3-yn-2-ylcarbamoyl(propyl)amino]acetic acid
CID 114418372
2-[2-ethylhexylcarbamoyl(propyl)amino]acetic acid
CID 114004349
2-[butylcarbamoyl(propyl)amino]acetic acid
CID 61008492
1,1-diethyl-3-heptan-2-ylurea
CID 78889279
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
3-butan-2-yl-1,1-dipropylurea
CID 17217773
2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid
CID 113364267
2-[2-fluorohexanoyl(propyl)amino]acetic acid
CID 101279700
2-[(3-methyl-2-propan-2-ylbutyl)carbamoyl-propylamino]acetic acid
CID 102907196
3-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 61478809
2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid
CID 135210925

Frequently Asked Questions

What is the IUPAC name of 2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid?
The IUPAC name of 2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid (CID 62198612) is 2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid is CCCCC(C)NC(=O)N(CCC)CC(=O)O.
What is the InChIKey of 2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid?
The InChIKey is DNLCGRNDPBMKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-6-7-10(3)13-12(17)14(8-5-2)9-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid?
2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid has a molecular weight of 244.33 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid is sourced from PubChem (CID 62198612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).