N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid

C13H27NO5 — CID 87904263

IUPACN,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid
SMILESCCCN(CCC)CCC.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C9H21N.C4H6O5/c1-4-7-10(8-5-2)9-6-3;5-2(4(8)9)1-3(6)7/h4-9H2,1-3H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyKSDZLQJPNLMNNK-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.42
Rot. Bonds9

About N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid

N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid (PubChem CID 87904263) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid.

Molecular Properties

Compound NameN,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid
PubChem CID87904263
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC NameN,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid
SMILESCCCN(CCC)CCC.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C9H21N.C4H6O5/c1-4-7-10(8-5-2)9-6-3;5-2(4(8)9)1-3(6)7/h4-9H2,1-3H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKeyKSDZLQJPNLMNNK-UHFFFAOYSA-N
XLogP1.42
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 87903997
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CID 173189047
cobalt;2-hydroxybutanedioic acid
CID 87544145
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
2-hydroxybutanedioic acid;iron
CID 174146167
acetic acid;copper;2-hydroxybutanedioic acid
CID 175107089
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
ethanethioic S-acid;2-hydroxybutanedioic acid
CID 174988031
2-hydroxybutanedioic acid;methylsulfinylmethane
CID 175504594
boric acid;bis(2-hydroxybutanedioic acid)
CID 175869930
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CID 174596527

Frequently Asked Questions

What is the IUPAC name of N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid?
The IUPAC name of N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid (CID 87904263) is N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid.
What is the SMILES notation for N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid?
The canonical SMILES for N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid is CCCN(CCC)CCC.O=C(O)CC(O)C(=O)O.
What is the InChIKey of N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid?
The InChIKey is KSDZLQJPNLMNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C4H6O5/c1-4-7-10(8-5-2)9-6-3;5-2(4(8)9)1-3(6)7/h4-9H2,1-3H3;2,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid?
N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid has a molecular weight of 277.36 g/mol, XLogP of 1.42, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylpropan-1-amine;2-hydroxybutanedioic acid is sourced from PubChem (CID 87904263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).