carbamic acid;2-(2-hydroxyethylamino)propan-1-ol

C6H16N2O4 — CID 88506214

IUPACcarbamic acid;2-(2-hydroxyethylamino)propan-1-ol
SMILESCC(CO)NCCO.NC(=O)O
InChIInChI=1S/C5H13NO2.CH3NO2/c1-5(4-8)6-2-3-7;2-1(3)4/h5-8H,2-4H2,1H3;2H2,(H,3,4)
InChIKeyJNESXMQFUXBFBZ-UHFFFAOYSA-N
MW180.20 g/mol
LogP-1.43
Rot. Bonds4

About carbamic acid;2-(2-hydroxyethylamino)propan-1-ol

carbamic acid;2-(2-hydroxyethylamino)propan-1-ol (PubChem CID 88506214) has the molecular formula C6H16N2O4 and a molecular weight of 180.20 g/mol. Its IUPAC name is carbamic acid;2-(2-hydroxyethylamino)propan-1-ol.

Molecular Properties

Compound Namecarbamic acid;2-(2-hydroxyethylamino)propan-1-ol
PubChem CID88506214
Molecular FormulaC6H16N2O4
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Namecarbamic acid;2-(2-hydroxyethylamino)propan-1-ol
SMILESCC(CO)NCCO.NC(=O)O
InChIInChI=1S/C5H13NO2.CH3NO2/c1-5(4-8)6-2-3-7;2-1(3)4/h5-8H,2-4H2,1H3;2H2,(H,3,4)
InChIKeyJNESXMQFUXBFBZ-UHFFFAOYSA-N
XLogP-1.43
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-1.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
4-(1-hydroxypropan-2-ylamino)butanoic acid
CID 43499958
2-hydroxyethyl 3-(1-hydroxypropan-2-ylamino)propanoate
CID 170854619
(2S)-2-hydroxy-4-[[(2R)-4-[[(2R)-1-hydroxypropan-2-yl]amino]butan-2-yl]amino]butanoic acid
CID 146208300
(10R)-10-(2-hydroxyethylamino)undecanoic acid
CID 102119671
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
CID 54359256
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
CID 172703702
CID 172703702
tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate
CID 114985484
2-(1-hydroxypropan-2-ylamino)acetic acid;2-(propylamino)acetic acid
CID 160542223
(2S)-2-(hexylamino)propan-1-ol
CID 88509072
2-(6-methylheptan-2-ylamino)ethanol
CID 61469768

Frequently Asked Questions

What is the IUPAC name of carbamic acid;2-(2-hydroxyethylamino)propan-1-ol?
The IUPAC name of carbamic acid;2-(2-hydroxyethylamino)propan-1-ol (CID 88506214) is carbamic acid;2-(2-hydroxyethylamino)propan-1-ol.
What is the SMILES notation for carbamic acid;2-(2-hydroxyethylamino)propan-1-ol?
The canonical SMILES for carbamic acid;2-(2-hydroxyethylamino)propan-1-ol is CC(CO)NCCO.NC(=O)O.
What is the InChIKey of carbamic acid;2-(2-hydroxyethylamino)propan-1-ol?
The InChIKey is JNESXMQFUXBFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.CH3NO2/c1-5(4-8)6-2-3-7;2-1(3)4/h5-8H,2-4H2,1H3;2H2,(H,3,4).
What are the key properties of carbamic acid;2-(2-hydroxyethylamino)propan-1-ol?
carbamic acid;2-(2-hydroxyethylamino)propan-1-ol has a molecular weight of 180.20 g/mol, XLogP of -1.43, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;2-(2-hydroxyethylamino)propan-1-ol is sourced from PubChem (CID 88506214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).